N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine

C54H36N2 — CID 167182149

IUPACN-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccc5ccc6ccccc6c5c34)cc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C54H36N2/c1-3-15-37(16-4-1)44-21-9-11-26-49(44)55(51-28-14-25-48-47-23-10-12-27-50(47)56(54(48)51)42-19-5-2-6-20-42)43-35-33-39(34-36-43)46-24-13-18-40-31-32-41-30-29-38-17-7-8-22-45(38)53(41)52(40)46/h1-36H
InChIKeyOBOJIABIXBZRKC-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine

N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (PubChem CID 167182149) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
PubChem CID167182149
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccc5ccc6ccccc6c5c34)cc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C54H36N2/c1-3-15-37(16-4-1)44-21-9-11-26-49(44)55(51-28-14-25-48-47-23-10-12-27-50(47)56(54(48)51)42-19-5-2-6-20-42)43-35-33-39(34-36-43)46-24-13-18-40-31-32-41-30-29-38-17-7-8-22-45(38)53(41)52(40)46/h1-36H
InChIKeyOBOJIABIXBZRKC-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167181795
N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170138552
N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167184133
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]benzo[c]carbazol-11-amine
CID 169285240
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297506
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577
2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304374

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (CID 167182149) is N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccc5ccc6ccccc6c5c34)cc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The InChIKey is OBOJIABIXBZRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-15-37(16-4-1)44-21-9-11-26-49(44)55(51-28-14-25-48-47-23-10-12-27-50(47)56(54(48)51)42-19-5-2-6-20-42)43-35-33-39(34-36-43)46-24-13-18-40-31-32-41-30-29-38-17-7-8-22-45(38)53(41)52(40)46/h1-36H.
What are the key properties of N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 167182149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).