N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine

C208H126N6 — CID 159143732

IUPACN-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)c4cccc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)c4cccc5ccccc45)cc32)cc1.c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2cccc3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc2c(c1)-c1cccc3c1C21c2cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)ccc2-c2cccc-3c21
InChIInChI=1S/2C53H32N2.2C51H31N/c1-2-15-34(16-3-1)55-49-25-9-7-19-40(49)45-31-35(28-30-50(45)55)54(48-26-10-14-33-13-4-5-17-37(33)48)36-27-29-39-42-21-12-23-44-43-22-11-20-41-38-18-6-8-24-46(38)53(51(41)43,52(42)44)47(39)32-36;1-2-15-34(16-3-1)55-49-25-9-7-19-40(49)41-30-28-36(32-50(41)55)54(48-26-10-14-33-13-4-5-17-37(33)48)35-27-29-39-43-21-12-23-45-44-22-11-20-42-38-18-6-8-24-46(38)53(51(42)44,52(43)45)47(39)31-35;1-3-15-37-32(11-1)13-7-18-38(37)34-25-27-35(28-26-34)52(48-24-8-14-33-12-2-4-16-39(33)48)36-29-30-41-43-20-10-22-45-44-21-9-19-42-40-17-5-6-23-46(40)51(49(42)44,50(43)45)47(41)31-36;1-2-14-34-30-35(27-26-32(34)12-1)38-17-6-8-24-47(38)52(48-25-9-15-33-13-3-4-16-37(33)48)36-28-29-40-42-20-11-22-44-43-21-10-19-41-39-18-5-7-23-45(39)51(49(41)43,50(42)44)46(40)31-36/h2*1-32H;2*1-31H
InChIKeyKIKOBXQUWNBWGE-UHFFFAOYSA-N
MW2709.34 g/mol
LogP54.37
Rot. Bonds16

About N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine

N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine (PubChem CID 159143732) has the molecular formula C208H126N6 and a molecular weight of 2709.34 g/mol. Its IUPAC name is N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine.

Molecular Properties

Compound NameN-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
PubChem CID159143732
Molecular FormulaC208H126N6
Molecular Weight2709.34 g/mol
Exact Mass2707.00
IUPAC NameN-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)c4cccc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)c4cccc5ccccc45)cc32)cc1.c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2cccc3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc2c(c1)-c1cccc3c1C21c2cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)ccc2-c2cccc-3c21
InChIInChI=1S/2C53H32N2.2C51H31N/c1-2-15-34(16-3-1)55-49-25-9-7-19-40(49)45-31-35(28-30-50(45)55)54(48-26-10-14-33-13-4-5-17-37(33)48)36-27-29-39-42-21-12-23-44-43-22-11-20-41-38-18-6-8-24-46(38)53(51(41)43,52(42)44)47(39)32-36;1-2-15-34(16-3-1)55-49-25-9-7-19-40(49)41-30-28-36(32-50(41)55)54(48-26-10-14-33-13-4-5-17-37(33)48)35-27-29-39-43-21-12-23-45-44-22-11-20-42-38-18-6-8-24-46(38)53(51(42)44,52(43)45)47(39)31-35;1-3-15-37-32(11-1)13-7-18-38(37)34-25-27-35(28-26-34)52(48-24-8-14-33-12-2-4-16-39(33)48)36-29-30-41-43-20-10-22-45-44-21-9-19-42-40-17-5-6-23-46(40)51(49(42)44,50(43)45)47(41)31-36;1-2-14-34-30-35(27-26-32(34)12-1)38-17-6-8-24-47(38)52(48-25-9-15-33-13-3-4-16-37(33)48)36-28-29-40-42-20-11-22-44-43-21-10-19-41-39-18-5-7-23-45(39)51(49(41)43,50(42)44)46(40)31-36/h2*1-32H;2*1-31H
InChIKeyKIKOBXQUWNBWGE-UHFFFAOYSA-N
XLogP54.37
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms214
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002709.34
LogP ≤ 554.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine with MolForge

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Related Compounds

1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
CID 164838059
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;N-naphthalen-1-yl-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163482556
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 158749383
N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118087622
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine
CID 163502975
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
N-naphthalen-1-yl-9-phenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine;9-phenyl-N-(2-phenylphenyl)-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine;9-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 158776654
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]aniline
CID 158938030
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098

Frequently Asked Questions

What is the IUPAC name of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The IUPAC name of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine (CID 159143732) is N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine.
What is the SMILES notation for N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The canonical SMILES for N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)c4cccc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)c4cccc5ccccc45)cc32)cc1.c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2cccc3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc2c(c1)-c1cccc3c1C21c2cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)ccc2-c2cccc-3c21.
What is the InChIKey of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The InChIKey is KIKOBXQUWNBWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H32N2.2C51H31N/c1-2-15-34(16-3-1)55-49-25-9-7-19-40(49)45-31-35(28-30-50(45)55)54(48-26-10-14-33-13-4-5-17-37(33)48)36-27-29-39-42-21-12-23-44-43-22-11-20-41-38-18-6-8-24-46(38)53(51(41)43,52(42)44)47(39)32-36;1-2-15-34(16-3-1)55-49-25-9-7-19-40(49)41-30-28-36(32-50(41)55)54(48-26-10-14-33-13-4-5-17-37(33)48)35-27-29-39-43-21-12-23-45-44-22-11-20-42-38-18-6-8-24-46(38)53(51(42)44,52(43)45)47(39)31-35;1-3-15-37-32(11-1)13-7-18-38(37)34-25-27-35(28-26-34)52(48-24-8-14-33-12-2-4-16-39(33)48)36-29-30-41-43-20-10-22-45-44-21-9-19-42-40-17-5-6-23-46(40)51(49(42)44,50(43)45)47(41)31-36;1-2-14-34-30-35(27-26-32(34)12-1)38-17-6-8-24-47(38)52(48-25-9-15-33-13-3-4-16-37(33)48)36-28-29-40-42-20-11-22-44-43-21-10-19-41-39-18-5-7-23-45(39)51(49(41)43,50(42)44)46(40)31-36/h2*1-32H;2*1-31H.
What are the key properties of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine has a molecular weight of 2709.34 g/mol, XLogP of 54.37, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine is sourced from PubChem (CID 159143732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).