N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine

C52H36N2 — CID 174307064

IUPACN,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-5-15-37(16-6-1)40-25-30-45(31-26-40)53(44-22-11-4-12-23-44)50-36-43-21-13-14-24-47(43)52-51(50)48-35-42(39-19-9-3-10-20-39)29-34-49(48)54(52)46-32-27-41(28-33-46)38-17-7-2-8-18-38/h1-36H
InChIKeyACJJGILAHFHNCQ-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine

N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine (PubChem CID 174307064) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine.

Molecular Properties

Compound NameN,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
PubChem CID174307064
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-5-15-37(16-6-1)40-25-30-45(31-26-40)53(44-22-11-4-12-23-44)50-36-43-21-13-14-24-47(43)52-51(50)48-35-42(39-19-9-3-10-20-39)29-34-49(48)54(52)46-32-27-41(28-33-46)38-17-7-2-8-18-38/h1-36H
InChIKeyACJJGILAHFHNCQ-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-naphthalen-2-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307587
N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307062
11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307732
N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307494
N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174306801
11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine
CID 174307151
8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307730
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline
CID 163422851
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
N-dibenzothiophen-3-yl-8-phenanthren-9-yl-N,11-diphenylbenzo[a]carbazol-6-amine
CID 174307740

Frequently Asked Questions

What is the IUPAC name of N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine?
The IUPAC name of N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine (CID 174307064) is N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine.
What is the SMILES notation for N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine?
The canonical SMILES for N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine?
The InChIKey is ACJJGILAHFHNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-5-15-37(16-6-1)40-25-30-45(31-26-40)53(44-22-11-4-12-23-44)50-36-43-21-13-14-24-47(43)52-51(50)48-35-42(39-19-9-3-10-20-39)29-34-49(48)54(52)46-32-27-41(28-33-46)38-17-7-2-8-18-38/h1-36H.
What are the key properties of N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine?
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine has a molecular weight of 688.87 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine is sourced from PubChem (CID 174307064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).