10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine

C34H25N3 — CID 163323306

IUPAC10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine
SMILESNc1c(N(c2ccccc2)c2c(N)c3ccccc3c3ccccc23)c2ccccc2c2ccccc12
InChIInChI=1S/C34H25N3/c35-31-27-18-8-4-14-23(27)25-16-6-10-20-29(25)33(31)37(22-12-2-1-3-13-22)34-30-21-11-7-17-26(30)24-15-5-9-19-28(24)32(34)36/h1-21H,35-36H2
InChIKeyYGYFOIYRWUFBJZ-UHFFFAOYSA-N
MW475.60 g/mol
LogP8.93
Rot. Bonds3

About 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine

10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine (PubChem CID 163323306) has the molecular formula C34H25N3 and a molecular weight of 475.60 g/mol. Its IUPAC name is 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine.

Molecular Properties

Compound Name10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine
PubChem CID163323306
Molecular FormulaC34H25N3
Molecular Weight475.60 g/mol
Exact Mass475.20
IUPAC Name10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine
SMILESNc1c(N(c2ccccc2)c2c(N)c3ccccc3c3ccccc23)c2ccccc2c2ccccc12
InChIInChI=1S/C34H25N3/c35-31-27-18-8-4-14-23(27)25-16-6-10-20-29(25)33(31)37(22-12-2-1-3-13-22)34-30-21-11-7-17-26(30)24-15-5-9-19-28(24)32(34)36/h1-21H,35-36H2
InChIKeyYGYFOIYRWUFBJZ-UHFFFAOYSA-N
XLogP8.93
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 58.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine
CID 91020941
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)phenanthrene-9,10-diamine
CID 22105096
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
N,N-diphenylaniline;silane
CID 131739129
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
CID 145488159
azane;N,N-diphenylaniline;methane
CID 174725062
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601

Frequently Asked Questions

What is the IUPAC name of 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine?
The IUPAC name of 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine (CID 163323306) is 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine.
What is the SMILES notation for 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine?
The canonical SMILES for 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine is Nc1c(N(c2ccccc2)c2c(N)c3ccccc3c3ccccc23)c2ccccc2c2ccccc12.
What is the InChIKey of 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine?
The InChIKey is YGYFOIYRWUFBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3/c35-31-27-18-8-4-14-23(27)25-16-6-10-20-29(25)33(31)37(22-12-2-1-3-13-22)34-30-21-11-7-17-26(30)24-15-5-9-19-28(24)32(34)36/h1-21H,35-36H2.
What are the key properties of 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine?
10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine has a molecular weight of 475.60 g/mol, XLogP of 8.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine is sourced from PubChem (CID 163323306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).