4-phenanthren-9-yl-N,3-diphenylaniline

C32H23N — CID 177300609

IUPAC4-phenanthren-9-yl-N,3-diphenylaniline
SMILESc1ccc(Nc2ccc(-c3cc4ccccc4c4ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C32H23N/c1-3-11-23(12-4-1)31-22-26(33-25-14-5-2-6-15-25)19-20-30(31)32-21-24-13-7-8-16-27(24)28-17-9-10-18-29(28)32/h1-22,33H
InChIKeyPTHKEAPASDOARV-UHFFFAOYSA-N
MW421.54 g/mol
LogP9.07
Rot. Bonds4

About 4-phenanthren-9-yl-N,3-diphenylaniline

4-phenanthren-9-yl-N,3-diphenylaniline (PubChem CID 177300609) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-phenanthren-9-yl-N,3-diphenylaniline.

Molecular Properties

Compound Name4-phenanthren-9-yl-N,3-diphenylaniline
PubChem CID177300609
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC Name4-phenanthren-9-yl-N,3-diphenylaniline
SMILESc1ccc(Nc2ccc(-c3cc4ccccc4c4ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C32H23N/c1-3-11-23(12-4-1)31-22-26(33-25-14-5-2-6-15-25)19-20-30(31)32-21-24-13-7-8-16-27(24)28-17-9-10-18-29(28)32/h1-22,33H
InChIKeyPTHKEAPASDOARV-UHFFFAOYSA-N
XLogP9.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenanthren-9-yl-N-phenylaniline
CID 134376612
4-phenanthren-3-yl-N,3-diphenylaniline
CID 177300604
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
N-phenylphenanthren-2-amine
CID 23175030
4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130250792
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
N-phenylfluoranthen-8-amine
CID 12546982
9-(4-methyl-2,5-diphenylphenyl)phenanthrene
CID 167535758
1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 59391009
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
CID 166769723

Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-9-yl-N,3-diphenylaniline?
The IUPAC name of 4-phenanthren-9-yl-N,3-diphenylaniline (CID 177300609) is 4-phenanthren-9-yl-N,3-diphenylaniline.
What is the SMILES notation for 4-phenanthren-9-yl-N,3-diphenylaniline?
The canonical SMILES for 4-phenanthren-9-yl-N,3-diphenylaniline is c1ccc(Nc2ccc(-c3cc4ccccc4c4ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-phenanthren-9-yl-N,3-diphenylaniline?
The InChIKey is PTHKEAPASDOARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c1-3-11-23(12-4-1)31-22-26(33-25-14-5-2-6-15-25)19-20-30(31)32-21-24-13-7-8-16-27(24)28-17-9-10-18-29(28)32/h1-22,33H.
What are the key properties of 4-phenanthren-9-yl-N,3-diphenylaniline?
4-phenanthren-9-yl-N,3-diphenylaniline has a molecular weight of 421.54 g/mol, XLogP of 9.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthren-9-yl-N,3-diphenylaniline is sourced from PubChem (CID 177300609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).