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

C56H36N2 — CID 166033477

IUPAC9-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
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4cc5c(cc34)-c3cc4cc(-c6ccccc6)ccc4cc3-5)cc2)cc1
InChIInChI=1S/C56H36N2/c1-4-13-37(14-5-1)39-25-27-45(28-26-39)57(46-29-30-48-47-20-10-11-21-54(47)58(56(48)35-46)44-18-8-3-9-19-44)55-22-12-17-42-33-51-50-32-41-24-23-40(38-15-6-2-7-16-38)31-43(41)34-52(50)53(51)36-49(42)55/h1-36H
InChIKeyDUEMLYWJUQVXTH-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.54
Rot. Bonds6

About 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

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 (PubChem CID 166033477) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID166033477
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name9-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
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4cc5c(cc34)-c3cc4cc(-c6ccccc6)ccc4cc3-5)cc2)cc1
InChIInChI=1S/C56H36N2/c1-4-13-37(14-5-1)39-25-27-45(28-26-39)57(46-29-30-48-47-20-10-11-21-54(47)58(56(48)35-46)44-18-8-3-9-19-44)55-22-12-17-42-33-51-50-32-41-24-23-40(38-15-6-2-7-16-38)31-43(41)34-52(50)53(51)36-49(42)55/h1-36H
InChIKeyDUEMLYWJUQVXTH-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-(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 with MolForge

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Related Compounds

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
5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine
CID 160726392
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 177097182
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258400
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258182
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501369
N-(7-naphthalen-2-ylnaphthalen-1-yl)-N,9-diphenylcarbazol-3-amine
CID 176587933
N-(2,3-diphenylphenyl)-9-phenyl-N-(6-phenylnaphthalen-2-yl)carbazol-2-amine
CID 165394959

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4cc5c(cc34)-c3cc4cc(-c6ccccc6)ccc4cc3-5)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DUEMLYWJUQVXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-4-13-37(14-5-1)39-25-27-45(28-26-39)57(46-29-30-48-47-20-10-11-21-54(47)58(56(48)35-46)44-18-8-3-9-19-44)55-22-12-17-42-33-51-50-32-41-24-23-40(38-15-6-2-7-16-38)31-43(41)34-52(50)53(51)36-49(42)55/h1-36H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 166033477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).