N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine

C42H29N — CID 170135249

IUPACN-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C42H29N/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)43(36-18-11-17-34(28-36)31-14-5-2-6-15-31)42-29-41-37-19-8-7-16-33(37)24-27-39(41)38-20-9-10-21-40(38)42/h1-29H
InChIKeyZDXQNAZBWVRWDY-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.95
Rot. Bonds5

About N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine

N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine (PubChem CID 170135249) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
PubChem CID170135249
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC NameN-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C42H29N/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)43(36-18-11-17-34(28-36)31-14-5-2-6-15-31)42-29-41-37-19-8-7-16-33(37)24-27-39(41)38-20-9-10-21-40(38)42/h1-29H
InChIKeyZDXQNAZBWVRWDY-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.95
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-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170141642
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
1-N,9-N-diphenyl-1-N,9-N-bis(3-phenylphenyl)chrysene-1,9-diamine
CID 170410736
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
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

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine (CID 170135249) is N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine?
The InChIKey is ZDXQNAZBWVRWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)43(36-18-11-17-34(28-36)31-14-5-2-6-15-31)42-29-41-37-19-8-7-16-33(37)24-27-39(41)38-20-9-10-21-40(38)42/h1-29H.
What are the key properties of N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine?
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine has a molecular weight of 547.70 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine is sourced from PubChem (CID 170135249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).