N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine

C44H29N — CID 170135539

IUPACN-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccc5ccccc5c4c3)c3cc4c5ccccc5ccc4c4ccccc34)c2)cc1
InChIInChI=1S/C44H29N/c1-2-11-30(12-3-1)34-15-10-16-35(27-34)45(36-25-23-33-22-21-31-13-4-6-17-37(31)42(33)28-36)44-29-43-38-18-7-5-14-32(38)24-26-40(43)39-19-8-9-20-41(39)44/h1-29H
InChIKeyXLOIZXJBFGXPFW-UHFFFAOYSA-N
MW571.72 g/mol
LogP12.59
Rot. Bonds4

About N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine

N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine (PubChem CID 170135539) has the molecular formula C44H29N and a molecular weight of 571.72 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
PubChem CID170135539
Molecular FormulaC44H29N
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC NameN-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccc5ccccc5c4c3)c3cc4c5ccccc5ccc4c4ccccc34)c2)cc1
InChIInChI=1S/C44H29N/c1-2-11-30(12-3-1)34-15-10-16-35(27-34)45(36-25-23-33-22-21-31-13-4-6-17-37(31)42(33)28-36)44-29-43-38-18-7-5-14-32(38)24-26-40(43)39-19-8-9-20-41(39)44/h1-29H
InChIKeyXLOIZXJBFGXPFW-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 512.59
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-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
1-N,9-N-diphenyl-1-N,9-N-bis(3-phenylphenyl)chrysene-1,9-diamine
CID 170410736
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
CID 170410600
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
CID 170136248
3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170141642
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
2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
CID 170410338
3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine
CID 170410575
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine?
The IUPAC name of N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine (CID 170135539) is N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine?
The canonical SMILES for N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine is c1ccc(-c2cccc(N(c3ccc4ccc5ccccc5c4c3)c3cc4c5ccccc5ccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine?
The InChIKey is XLOIZXJBFGXPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N/c1-2-11-30(12-3-1)34-15-10-16-35(27-34)45(36-25-23-33-22-21-31-13-4-6-17-37(31)42(33)28-36)44-29-43-38-18-7-5-14-32(38)24-26-40(43)39-19-8-9-20-41(39)44/h1-29H.
What are the key properties of N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine?
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine has a molecular weight of 571.72 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine is sourced from PubChem (CID 170135539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).