3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline

C42H29N — CID 164717619

IUPAC3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C42H29N/c1-3-18-32(19-4-1)43(33-20-5-2-6-21-33)34-22-13-17-31(29-34)41-37-24-9-11-26-39(37)42(40-27-12-10-25-38(40)41)36-28-14-16-30-15-7-8-23-35(30)36/h1-29H
InChIKeyOCNFYDAPZJWJJZ-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.95
Rot. Bonds5

About 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline

3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline (PubChem CID 164717619) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
PubChem CID164717619
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C42H29N/c1-3-18-32(19-4-1)43(33-20-5-2-6-21-33)34-22-13-17-31(29-34)41-37-24-9-11-26-39(37)42(40-27-12-10-25-38(40)41)36-28-14-16-30-15-7-8-23-35(30)36/h1-29H
InChIKeyOCNFYDAPZJWJJZ-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
CID 59194325
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine
CID 59987787
9-naphthalen-1-yl-2-N-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 89061202
N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
CID 59194316
3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
CID 159532713
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
CID 166679444

Frequently Asked Questions

What is the IUPAC name of 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline?
The IUPAC name of 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline (CID 164717619) is 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline?
The canonical SMILES for 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)cc1.
What is the InChIKey of 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline?
The InChIKey is OCNFYDAPZJWJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-3-18-32(19-4-1)43(33-20-5-2-6-21-33)34-22-13-17-31(29-34)41-37-24-9-11-26-39(37)42(40-27-12-10-25-38(40)41)36-28-14-16-30-15-7-8-23-35(30)36/h1-29H.
What are the key properties of 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline?
3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline has a molecular weight of 547.70 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline is sourced from PubChem (CID 164717619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).