N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline

C61H38N2 — CID 156664769

IUPACN-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C35c6ccccc6-c6cccc(c63)-c3cccc-4c35)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H38N2/c1-3-13-43(14-4-1)62(45-31-25-39(26-32-45)41-30-36-58-54(37-41)49-18-8-10-24-57(49)63(58)44-15-5-2-6-16-44)46-33-27-40(28-34-46)42-29-35-48-51-20-12-22-53-52-21-11-19-50-47-17-7-9-23-55(47)61(59(50)52,60(51)53)56(48)38-42/h1-38H
InChIKeyKTRUELDQWZHMFR-UHFFFAOYSA-N
MW798.99 g/mol
LogP15.91
Rot. Bonds6

About N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline

N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 156664769) has the molecular formula C61H38N2 and a molecular weight of 798.99 g/mol. Its IUPAC name is N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID156664769
Molecular FormulaC61H38N2
Molecular Weight798.99 g/mol
Exact Mass798.30
IUPAC NameN-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C35c6ccccc6-c6cccc(c63)-c3cccc-4c35)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H38N2/c1-3-13-43(14-4-1)62(45-31-25-39(26-32-45)41-30-36-58-54(37-41)49-18-8-10-24-57(49)63(58)44-15-5-2-6-16-44)46-33-27-40(28-34-46)42-29-35-48-51-20-12-22-53-52-21-11-19-50-47-17-7-9-23-55(47)61(59(50)52,60(51)53)56(48)38-42/h1-38H
InChIKeyKTRUELDQWZHMFR-UHFFFAOYSA-N
XLogP15.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline with MolForge

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Related Compounds

2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(3,5-diphenylphenyl)-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 165027363
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718

Frequently Asked Questions

What is the IUPAC name of N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline (CID 156664769) is N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline is c1ccc(N(c2ccc(-c3ccc4c(c3)C35c6ccccc6-c6cccc(c63)-c3cccc-4c35)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is KTRUELDQWZHMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2/c1-3-13-43(14-4-1)62(45-31-25-39(26-32-45)41-30-36-58-54(37-41)49-18-8-10-24-57(49)63(58)44-15-5-2-6-16-44)46-33-27-40(28-34-46)42-29-35-48-51-20-12-22-53-52-21-11-19-50-47-17-7-9-23-55(47)61(59(50)52,60(51)53)56(48)38-42/h1-38H.
What are the key properties of N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 798.99 g/mol, XLogP of 15.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(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)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 156664769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).