N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine

C44H31N — CID 155303560

IUPACN-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C44H31N/c1-4-15-32(16-5-1)35-22-14-23-39(28-35)45(44-31-36-21-10-11-24-41(36)42-25-12-13-26-43(42)44)40-29-37(33-17-6-2-7-18-33)27-38(30-40)34-19-8-3-9-20-34/h1-31H
InChIKeyDEYIXNLPNRQJRM-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine

N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine (PubChem CID 155303560) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
PubChem CID155303560
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C44H31N/c1-4-15-32(16-5-1)35-22-14-23-39(28-35)45(44-31-36-21-10-11-24-41(36)42-25-12-13-26-43(42)44)40-29-37(33-17-6-2-7-18-33)27-38(30-40)34-19-8-3-9-20-34/h1-31H
InChIKeyDEYIXNLPNRQJRM-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-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-(3,5-diphenylphenyl)-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 177079916
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303616
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-(4-phenylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477390
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyren-4-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]aniline
CID 158650281
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 170226506
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170141642

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine (CID 155303560) is N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine is c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
The InChIKey is DEYIXNLPNRQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-4-15-32(16-5-1)35-22-14-23-39(28-35)45(44-31-36-21-10-11-24-41(36)42-25-12-13-26-43(42)44)40-29-37(33-17-6-2-7-18-33)27-38(30-40)34-19-8-3-9-20-34/h1-31H.
What are the key properties of N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
N-(3,5-diphenylphenyl)-N-(3-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-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155303560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).