N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine

C56H35N3 — CID 166032412

IUPACN-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H35N3/c1-3-14-40(15-4-1)57(55-25-13-21-47-46-20-9-12-24-54(46)59(56(47)55)41-16-5-2-6-17-41)42-28-26-36-32-48-50(34-38(36)30-42)49-33-37-27-29-43(31-39(37)35-51(48)49)58-52-22-10-7-18-44(52)45-19-8-11-23-53(45)58/h1-35H
InChIKeyVNSZUVVYZBYFIM-UHFFFAOYSA-N
MW749.92 g/mol
LogP15.30
Rot. Bonds5

About N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine

N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine (PubChem CID 166032412) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine.

Molecular Properties

Compound NameN-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine
PubChem CID166032412
Molecular FormulaC56H35N3
Molecular Weight749.92 g/mol
Exact Mass749.28
IUPAC NameN-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H35N3/c1-3-14-40(15-4-1)57(55-25-13-21-47-46-20-9-12-24-54(46)59(56(47)55)41-16-5-2-6-17-41)42-28-26-36-32-48-50(34-38(36)30-42)49-33-37-27-29-43(31-39(37)35-51(48)49)58-52-22-10-7-18-44(52)45-19-8-11-23-53(45)58/h1-35H
InChIKeyVNSZUVVYZBYFIM-UHFFFAOYSA-N
XLogP15.30
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.92
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butylphenyl)-16-carbazol-9-yl-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033573
N-(17-carbazol-9-yl-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-phenyldibenzofuran-4-amine
CID 166032307
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-diphenylnaphthalen-2-amine
CID 145273348
17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033638
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-phenyl-N-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273366
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018
16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032042
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 138549015
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 145273382
N-phenyl-N-(3-phenylphenyl)-7-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273386
N-(16-carbazol-9-yl-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)dibenzofuran-4-amine
CID 166031741

Frequently Asked Questions

What is the IUPAC name of N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine?
The IUPAC name of N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine (CID 166032412) is N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine.
What is the SMILES notation for N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine?
The canonical SMILES for N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine is c1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine?
The InChIKey is VNSZUVVYZBYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c1-3-14-40(15-4-1)57(55-25-13-21-47-46-20-9-12-24-54(46)59(56(47)55)41-16-5-2-6-17-41)42-28-26-36-32-48-50(34-38(36)30-42)49-33-37-27-29-43(31-39(37)35-51(48)49)58-52-22-10-7-18-44(52)45-19-8-11-23-53(45)58/h1-35H.
What are the key properties of N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine?
N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine has a molecular weight of 749.92 g/mol, XLogP of 15.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-carbazol-9-yl-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,9-diphenylcarbazol-1-amine is sourced from PubChem (CID 166032412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).