N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine

C41H29N3 — CID 74013981

IUPACN-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
SMILESC(=Cc1nc2ccccc2n1-c1ccccc1)c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C41H29N3/c1-3-14-32(15-4-1)43(40-29-31-13-7-8-18-35(31)36-19-9-10-20-37(36)40)34-26-23-30(24-27-34)25-28-41-42-38-21-11-12-22-39(38)44(41)33-16-5-2-6-17-33/h1-29H
InChIKeyLCGSPPDCVNLJAA-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.97
Rot. Bonds6

About N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine

N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine (PubChem CID 74013981) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
PubChem CID74013981
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC NameN-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
SMILESC(=Cc1nc2ccccc2n1-c1ccccc1)c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C41H29N3/c1-3-14-32(15-4-1)43(40-29-31-13-7-8-18-35(31)36-19-9-10-20-37(36)40)34-26-23-30(24-27-34)25-28-41-42-38-21-11-12-22-39(38)44(41)33-16-5-2-6-17-33/h1-29H
InChIKeyLCGSPPDCVNLJAA-UHFFFAOYSA-N
XLogP10.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]phenanthren-9-amine
CID 90363921
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
N-[4-[2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 74013976
N-naphthalen-2-yl-N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]phenanthren-9-amine
CID 89067533
N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline
CID 21357057
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
N-[4-[4-[2-[4-[4-[di(phenanthren-9-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 90908670
N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine
CID 76589956
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-phenanthren-9-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)phenanthren-9-amine
CID 89067797
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine (CID 74013981) is N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine is C(=Cc1nc2ccccc2n1-c1ccccc1)c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine?
The InChIKey is LCGSPPDCVNLJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-3-14-32(15-4-1)43(40-29-31-13-7-8-18-35(31)36-19-9-10-20-37(36)40)34-26-23-30(24-27-34)25-28-41-42-38-21-11-12-22-39(38)44(41)33-16-5-2-6-17-33/h1-29H.
What are the key properties of N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine?
N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine has a molecular weight of 563.70 g/mol, XLogP of 10.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 74013981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).