2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline

C54H37N — CID 167183799

IUPAC2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc(-c4ccccc4)cc3-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C54H37N/c1-4-14-38(15-5-1)40-30-33-47(34-31-40)55(52-23-13-12-21-48(52)41-18-8-3-9-19-41)53-35-32-45(39-16-6-2-7-17-39)36-50(53)46-29-26-43-25-28-44-27-24-42-20-10-11-22-49(42)54(44)51(43)37-46/h1-37H
InChIKeyVCRKKPSSHBHUIT-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline

2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 167183799) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID167183799
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC Name2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc(-c4ccccc4)cc3-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C54H37N/c1-4-14-38(15-5-1)40-30-33-47(34-31-40)55(52-23-13-12-21-48(52)41-18-8-3-9-19-41)53-35-32-45(39-16-6-2-7-17-39)36-50(53)46-29-26-43-25-28-44-27-24-42-20-10-11-22-49(42)54(44)51(43)37-46/h1-37H
InChIKeyVCRKKPSSHBHUIT-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine
CID 171054294
N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 167183489
2-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 177100332
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
2-chrysen-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 170141194
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-2-phenylaniline
CID 167182916
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 167183799) is 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc(-c4ccccc4)cc3-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is VCRKKPSSHBHUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-4-14-38(15-5-1)40-30-33-47(34-31-40)55(52-23-13-12-21-48(52)41-18-8-3-9-19-41)53-35-32-45(39-16-6-2-7-17-39)36-50(53)46-29-26-43-25-28-44-27-24-42-20-10-11-22-49(42)54(44)51(43)37-46/h1-37H.
What are the key properties of 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167183799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).