2,3,7-triphenylnaphthalen-1-amine

C28H21N — CID 174953963

IUPAC2,3,7-triphenylnaphthalen-1-amine
SMILESNc1c(-c2ccccc2)c(-c2ccccc2)cc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C28H21N/c29-28-26-18-23(20-10-4-1-5-11-20)16-17-24(26)19-25(21-12-6-2-7-13-21)27(28)22-14-8-3-9-15-22/h1-19H,29H2
InChIKeyIQKOQSYKXFWXEE-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.42
Rot. Bonds3

About 2,3,7-triphenylnaphthalen-1-amine

2,3,7-triphenylnaphthalen-1-amine (PubChem CID 174953963) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 2,3,7-triphenylnaphthalen-1-amine.

Molecular Properties

Compound Name2,3,7-triphenylnaphthalen-1-amine
PubChem CID174953963
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name2,3,7-triphenylnaphthalen-1-amine
SMILESNc1c(-c2ccccc2)c(-c2ccccc2)cc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C28H21N/c29-28-26-18-23(20-10-4-1-5-11-20)16-17-24(26)19-25(21-12-6-2-7-13-21)27(28)22-14-8-3-9-15-22/h1-19H,29H2
InChIKeyIQKOQSYKXFWXEE-UHFFFAOYSA-N
XLogP7.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-10-[6-(4-phenylphenyl)-8-[4-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837417
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
9-phenyl-10-[4-[6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 159018384
9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837476
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
2,3-bis(4-nitrophenyl)naphthalen-1-amine
CID 139604402
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135

Frequently Asked Questions

What is the IUPAC name of 2,3,7-triphenylnaphthalen-1-amine?
The IUPAC name of 2,3,7-triphenylnaphthalen-1-amine (CID 174953963) is 2,3,7-triphenylnaphthalen-1-amine.
What is the SMILES notation for 2,3,7-triphenylnaphthalen-1-amine?
The canonical SMILES for 2,3,7-triphenylnaphthalen-1-amine is Nc1c(-c2ccccc2)c(-c2ccccc2)cc2ccc(-c3ccccc3)cc12.
What is the InChIKey of 2,3,7-triphenylnaphthalen-1-amine?
The InChIKey is IQKOQSYKXFWXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c29-28-26-18-23(20-10-4-1-5-11-20)16-17-24(26)19-25(21-12-6-2-7-13-21)27(28)22-14-8-3-9-15-22/h1-19H,29H2.
What are the key properties of 2,3,7-triphenylnaphthalen-1-amine?
2,3,7-triphenylnaphthalen-1-amine has a molecular weight of 371.48 g/mol, XLogP of 7.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-triphenylnaphthalen-1-amine is sourced from PubChem (CID 174953963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).