N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine

C44H31N — CID 164529185

IUPACN-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)ccc3-c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C44H31N/c1-4-14-32(15-5-1)34-24-27-38(28-25-34)45(44-31-37-20-10-11-21-39(37)41-22-12-13-23-42(41)44)43-30-36(33-16-6-2-7-17-33)26-29-40(43)35-18-8-3-9-19-35/h1-31H
InChIKeyOIINKALLANPMLB-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine

N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 164529185) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID164529185
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)ccc3-c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C44H31N/c1-4-14-32(15-5-1)34-24-27-38(28-25-34)45(44-31-37-20-10-11-21-39(37)41-22-12-13-23-42(41)44)43-30-36(33-16-6-2-7-17-33)26-29-40(43)35-18-8-3-9-19-35/h1-31H
InChIKeyOIINKALLANPMLB-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-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
5-phenanthren-9-yl-2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167235413
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 169064579
N-(4-phenylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477390
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 167003351
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 166589643
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine (CID 164529185) is N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(N(c3cc(-c4ccccc4)ccc3-c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is OIINKALLANPMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-4-14-32(15-5-1)34-24-27-38(28-25-34)45(44-31-37-20-10-11-21-39(37)41-22-12-13-23-42(41)44)43-30-36(33-16-6-2-7-17-33)26-29-40(43)35-18-8-3-9-19-35/h1-31H.
What are the key properties of N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-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-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 164529185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).