N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine

C56H37N — CID 167183489

IUPACN-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2ccc(-c3cccc4ccc5ccc6ccccc6c5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C56H37N/c1-3-14-38(15-4-1)49-22-11-12-25-53(49)57(46-33-34-48-44(36-46)31-27-40-18-7-9-21-47(40)48)54-35-32-45(37-52(54)39-16-5-2-6-17-39)51-24-13-20-42-29-30-43-28-26-41-19-8-10-23-50(41)56(43)55(42)51/h1-37H
InChIKeyMGIRFRDTOKJEAG-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine

N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine (PubChem CID 167183489) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
PubChem CID167183489
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2ccc(-c3cccc4ccc5ccc6ccccc6c5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C56H37N/c1-3-14-38(15-4-1)49-22-11-12-25-53(49)57(46-33-34-48-44(36-46)31-27-40-18-7-9-21-47(40)48)54-35-32-45(37-52(54)39-16-5-2-6-17-39)51-24-13-20-42-29-30-43-28-26-41-19-8-10-23-50(41)56(43)55(42)51/h1-37H
InChIKeyMGIRFRDTOKJEAG-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.92
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

2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167182328
N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170130600
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-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)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-undecaen-6-amine
CID 177100449
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 171054315
N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167183724
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167182181
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine (CID 167183489) is N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine is c1ccc(-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2ccc(-c3cccc4ccc5ccc6ccccc6c5c34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine?
The InChIKey is MGIRFRDTOKJEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-3-14-38(15-4-1)49-22-11-12-25-53(49)57(46-33-34-48-44(36-46)31-27-40-18-7-9-21-47(40)48)54-35-32-45(37-52(54)39-16-5-2-6-17-39)51-24-13-20-42-29-30-43-28-26-41-19-8-10-23-50(41)56(43)55(42)51/h1-37H.
What are the key properties of N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine?
N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine has a molecular weight of 723.92 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 167183489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).