4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

C63H43N3O — CID 122430965

IUPAC4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESO=c1c2ccccc2ccc2cccc(-c3ccccc3-c3ccccc3-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c12
InChIInChI=1S/C63H43N3O/c67-63-52-30-14-13-20-44(52)36-37-45-21-19-34-56(62(45)63)54-32-16-15-31-53(54)55-33-17-18-35-59(55)66-60-40-38-50(64(46-22-5-1-6-23-46)47-24-7-2-8-25-47)42-57(60)58-43-51(39-41-61(58)66)65(48-26-9-3-10-27-48)49-28-11-4-12-29-49/h1-43H
InChIKeyIPLGWXOVBHZIKA-UHFFFAOYSA-N
MW858.06 g/mol
LogP16.72
Rot. Bonds9

About 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (PubChem CID 122430965) has the molecular formula C63H43N3O and a molecular weight of 858.06 g/mol. Its IUPAC name is 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.

Molecular Properties

Compound Name4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
PubChem CID122430965
Molecular FormulaC63H43N3O
Molecular Weight858.06 g/mol
Exact Mass857.34
IUPAC Name4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESO=c1c2ccccc2ccc2cccc(-c3ccccc3-c3ccccc3-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c12
InChIInChI=1S/C63H43N3O/c67-63-52-30-14-13-20-44(52)36-37-45-21-19-34-56(62(45)63)54-32-16-15-31-53(54)55-33-17-18-35-59(55)66-60-40-38-50(64(46-22-5-1-6-23-46)47-24-7-2-8-25-47)42-57(60)58-43-51(39-41-61(58)66)65(48-26-9-3-10-27-48)49-28-11-4-12-29-49/h1-43H
InChIKeyIPLGWXOVBHZIKA-UHFFFAOYSA-N
XLogP16.72
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.06
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one with MolForge

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Related Compounds

3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 167528489
4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline
CID 174310000
N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103056
N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
CID 165001412
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
3-N,3-N,6-N,6-N-tetraphenyl-9-[2-[4-(6-phenyl-2-pyridinyl)phenyl]phenyl]carbazole-3,6-diamine
CID 138675153
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
CID 174276936
N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-(2-phenylphenyl)carbazol-3-amine
CID 167357281
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167322214
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The IUPAC name of 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (CID 122430965) is 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.
What is the SMILES notation for 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The canonical SMILES for 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is O=c1c2ccccc2ccc2cccc(-c3ccccc3-c3ccccc3-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c12.
What is the InChIKey of 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The InChIKey is IPLGWXOVBHZIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3O/c67-63-52-30-14-13-20-44(52)36-37-45-21-19-34-56(62(45)63)54-32-16-15-31-53(54)55-33-17-18-35-59(55)66-60-40-38-50(64(46-22-5-1-6-23-46)47-24-7-2-8-25-47)42-57(60)58-43-51(39-41-61(58)66)65(48-26-9-3-10-27-48)49-28-11-4-12-29-49/h1-43H.
What are the key properties of 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one has a molecular weight of 858.06 g/mol, XLogP of 16.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is sourced from PubChem (CID 122430965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).