N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine

C44H31N — CID 155304186

IUPACN-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C44H31N/c1-5-17-32(18-6-1)37-30-29-36(31-42(37)33-19-7-2-8-20-33)45(35-23-11-4-12-24-35)44-41-28-16-14-26-39(41)38-25-13-15-27-40(38)43(44)34-21-9-3-10-22-34/h1-31H
InChIKeyGMTQWIZSGIVDNA-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine

N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine (PubChem CID 155304186) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine
PubChem CID155304186
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C44H31N/c1-5-17-32(18-6-1)37-30-29-36(31-42(37)33-19-7-2-8-20-33)45(35-23-11-4-12-24-35)44-41-28-16-14-26-39(41)38-25-13-15-27-40(38)43(44)34-21-9-3-10-22-34/h1-31H
InChIKeyGMTQWIZSGIVDNA-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

10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305411
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845
N-[4-(3,4-diphenylphenyl)phenyl]-N-phenyl-10-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 155305531
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304286
N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155303461
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-(3,4-diphenylphenyl)-2,6-diphenylaniline
CID 169062709
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063649
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064902
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
CID 169061959
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 58160974

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine (CID 155304186) is N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine is c1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine?
The InChIKey is GMTQWIZSGIVDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-5-17-32(18-6-1)37-30-29-36(31-42(37)33-19-7-2-8-20-33)45(35-23-11-4-12-24-35)44-41-28-16-14-26-39(41)38-25-13-15-27-40(38)43(44)34-21-9-3-10-22-34/h1-31H.
What are the key properties of N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine?
N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-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,10-diphenylphenanthren-9-amine is sourced from PubChem (CID 155304186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).