N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine

C55H38N2S — CID 129038207

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C55H38N2S/c1-55(2)47-23-13-11-19-41(47)42-31-29-40(34-48(42)55)56(37-17-7-4-8-18-37)39-30-32-49-46(33-39)51-43-20-9-10-21-44(43)52-45-22-12-14-24-50(45)58-54(52)53(51)57(49)38-27-25-36(26-28-38)35-15-5-3-6-16-35/h3-34H,1-2H3
InChIKeyFZHPWSFUZHGWAF-UHFFFAOYSA-N
MW758.99 g/mol
LogP15.75
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine (PubChem CID 129038207) has the molecular formula C55H38N2S and a molecular weight of 758.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
PubChem CID129038207
Molecular FormulaC55H38N2S
Molecular Weight758.99 g/mol
Exact Mass758.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C55H38N2S/c1-55(2)47-23-13-11-19-41(47)42-31-29-40(34-48(42)55)56(37-17-7-4-8-18-37)39-30-32-49-46(33-39)51-43-20-9-10-21-44(43)52-45-22-12-14-24-50(45)58-54(52)53(51)57(49)38-27-25-36(26-28-38)35-15-5-3-6-16-35/h3-34H,1-2H3
InChIKeyFZHPWSFUZHGWAF-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.99
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine with MolForge

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Related Compounds

20-carbazol-9-yl-24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;N-(9,9-dimethylfluoren-2-yl)-N,24-dinaphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine;N,N-diphenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine;24-naphthalen-2-yl-N,N-bis(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
CID 158204100
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine
CID 157394315
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-[22-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl]phenyl]fluoren-2-amine
CID 126621573
N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine
CID 144585436
9,9-dimethyl-N-[3-(12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122578472
N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine
CID 137385981
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160959484
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 66585302
7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118242869
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)phenyl]fluoren-2-amine
CID 89448271

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine (CID 129038207) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine?
The InChIKey is FZHPWSFUZHGWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2S/c1-55(2)47-23-13-11-19-41(47)42-31-29-40(34-48(42)55)56(37-17-7-4-8-18-37)39-30-32-49-46(33-39)51-43-20-9-10-21-44(43)52-45-22-12-14-24-50(45)58-54(52)53(51)57(49)38-27-25-36(26-28-38)35-15-5-3-6-16-35/h3-34H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine has a molecular weight of 758.99 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine is sourced from PubChem (CID 129038207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).