9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine

C56H36N2 — CID 166032415

IUPAC9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)-c3cc4ccc(-c6ccccc6)cc4cc3-5)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C56H36N2/c1-4-12-37(13-5-1)39-22-25-46(26-23-39)57(48-28-29-50-49-18-10-11-19-55(49)58(56(50)36-48)45-16-8-3-9-17-45)47-27-24-42-33-52-53-34-43-30-40(38-14-6-2-7-15-38)20-21-41(43)32-51(53)54(52)35-44(42)31-47/h1-36H
InChIKeyXJMQKHYLYBZGRZ-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.54
Rot. Bonds6

About 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine

9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 166032415) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID166032415
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)-c3cc4ccc(-c6ccccc6)cc4cc3-5)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C56H36N2/c1-4-12-37(13-5-1)39-22-25-46(26-23-39)57(48-28-29-50-49-18-10-11-19-55(49)58(56(50)36-48)45-16-8-3-9-17-45)47-27-24-42-33-52-53-34-43-30-40(38-14-6-2-7-15-38)20-21-41(43)32-51(53)54(52)35-44(42)31-47/h1-36H
InChIKeyXJMQKHYLYBZGRZ-UHFFFAOYSA-N
XLogP15.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine with MolForge

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Related Compounds

N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
9-phenyl-N-(17-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 166033477
N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine (CID 166032415) is 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)-c3cc4ccc(-c6ccccc6)cc4cc3-5)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is XJMQKHYLYBZGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-4-12-37(13-5-1)39-22-25-46(26-23-39)57(48-28-29-50-49-18-10-11-19-55(49)58(56(50)36-48)45-16-8-3-9-17-45)47-27-24-42-33-52-53-34-43-30-40(38-14-6-2-7-15-38)20-21-41(43)32-51(53)54(52)35-44(42)31-47/h1-36H.
What are the key properties of 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine?
9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 736.92 g/mol, XLogP of 15.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 166032415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).