N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine

C44H31N — CID 177081123

IUPACN-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4ccc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C44H31N/c1-4-13-32(14-5-1)37-20-12-21-38(29-37)45(39-26-25-36-24-23-35-19-10-11-22-41(35)44(36)30-39)40-27-28-42(33-15-6-2-7-16-33)43(31-40)34-17-8-3-9-18-34/h1-31H
InChIKeyKTSCFPCTVRJSKE-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine

N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine (PubChem CID 177081123) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine
PubChem CID177081123
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4ccc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C44H31N/c1-4-13-32(14-5-1)37-20-12-21-38(29-37)45(39-26-25-36-24-23-35-19-10-11-22-41(35)44(36)30-39)40-27-28-42(33-15-6-2-7-16-33)43(31-40)34-17-8-3-9-18-34/h1-31H
InChIKeyKTSCFPCTVRJSKE-UHFFFAOYSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 512.46
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-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N-(3,4-diphenylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177080941
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
CID 170136248
N,N-bis(3-phenanthren-9-ylphenyl)-3,4-diphenylaniline
CID 142614676
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579
N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 159775461
N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177081062
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
N-(4-naphthalen-2-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168809650

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine (CID 177081123) is N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4ccc5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine?
The InChIKey is KTSCFPCTVRJSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-4-13-32(14-5-1)37-20-12-21-38(29-37)45(39-26-25-36-24-23-35-19-10-11-22-41(35)44(36)30-39)40-27-28-42(33-15-6-2-7-16-33)43(31-40)34-17-8-3-9-18-34/h1-31H.
What are the key properties of N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine?
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine has a molecular weight of 573.74 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine is sourced from PubChem (CID 177081123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).