N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine

C44H29N — CID 170135801

IUPACN-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C44H29N/c1-2-8-30(9-3-1)31-16-21-36(22-17-31)45(37-24-27-41-35(28-37)15-14-32-10-4-6-12-39(32)41)38-23-18-34-20-25-42-40-13-7-5-11-33(40)19-26-43(42)44(34)29-38/h1-29H
InChIKeyVEKJUQKHZQPWQB-UHFFFAOYSA-N
MW571.72 g/mol
LogP12.59
Rot. Bonds4

About N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine

N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine (PubChem CID 170135801) has the molecular formula C44H29N and a molecular weight of 571.72 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
PubChem CID170135801
Molecular FormulaC44H29N
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC NameN-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C44H29N/c1-2-8-30(9-3-1)31-16-21-36(22-17-31)45(37-24-27-41-35(28-37)15-14-32-10-4-6-12-39(32)41)38-23-18-34-20-25-42-40-13-7-5-11-33(40)19-26-43(42)44(34)29-38/h1-29H
InChIKeyVEKJUQKHZQPWQB-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,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
CID 170136248
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
CID 170410338
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754864

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine?
The IUPAC name of N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine (CID 170135801) is N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine.
What is the SMILES notation for N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine?
The canonical SMILES for N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine is c1ccc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1.
What is the InChIKey of N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine?
The InChIKey is VEKJUQKHZQPWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N/c1-2-8-30(9-3-1)31-16-21-36(22-17-31)45(37-24-27-41-35(28-37)15-14-32-10-4-6-12-39(32)41)38-23-18-34-20-25-42-40-13-7-5-11-33(40)19-26-43(42)44(34)29-38/h1-29H.
What are the key properties of N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine?
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-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-2-yl-N-(4-phenylphenyl)chrysen-3-amine is sourced from PubChem (CID 170135801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).