N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine

C50H33N — CID 170135459

IUPACN-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2cc3c4ccccc4ccc3c3ccccc23)cc1
InChIInChI=1S/C50H33N/c1-2-14-34(15-3-1)41-20-12-13-25-49(41)51(50-33-48-39-18-6-4-16-35(39)28-31-45(48)43-22-10-11-24-46(43)50)38-29-26-36(27-30-38)47-32-37-17-5-7-19-40(37)42-21-8-9-23-44(42)47/h1-33H
InChIKeySQXCPZLVWQXZQY-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.26
Rot. Bonds5

About N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine

N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine (PubChem CID 170135459) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
PubChem CID170135459
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2cc3c4ccccc4ccc3c3ccccc23)cc1
InChIInChI=1S/C50H33N/c1-2-14-34(15-3-1)41-20-12-13-25-49(41)51(50-33-48-39-18-6-4-16-35(39)28-31-45(48)43-22-10-11-24-46(43)50)38-29-26-36(27-30-38)47-32-37-17-5-7-19-40(37)42-21-8-9-23-44(42)47/h1-33H
InChIKeySQXCPZLVWQXZQY-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.26
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-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
CID 170135515
2-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614538
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
5-phenanthren-9-yl-2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167235413
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
N-(4-phenanthren-9-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527338

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine (CID 170135459) is N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2cc3c4ccccc4ccc3c3ccccc23)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine?
The InChIKey is SQXCPZLVWQXZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-2-14-34(15-3-1)41-20-12-13-25-49(41)51(50-33-48-39-18-6-4-16-35(39)28-31-45(48)43-22-10-11-24-46(43)50)38-29-26-36(27-30-38)47-32-37-17-5-7-19-40(37)42-21-8-9-23-44(42)47/h1-33H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine?
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine has a molecular weight of 647.82 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine is sourced from PubChem (CID 170135459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).