4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine

C39H32N2 — CID 166905607

IUPAC4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine
SMILESCC1CC=CC=C1N(c1ccccc1)c1c2ccccc2cc2c(-c3ccccc3Nc3ccccc3)cccc12
InChIInChI=1S/C39H32N2/c1-28-15-8-13-26-38(28)41(31-19-6-3-7-20-31)39-32-21-10-9-16-29(32)27-36-33(23-14-24-35(36)39)34-22-11-12-25-37(34)40-30-17-4-2-5-18-30/h2-14,16-28,40H,15H2,1H3
InChIKeyILALYGYTXPLXDK-UHFFFAOYSA-N
MW528.70 g/mol
LogP11.02
Rot. Bonds6

About 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine

4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine (PubChem CID 166905607) has the molecular formula C39H32N2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine.

Molecular Properties

Compound Name4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine
PubChem CID166905607
Molecular FormulaC39H32N2
Molecular Weight528.70 g/mol
Exact Mass528.26
IUPAC Name4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine
SMILESCC1CC=CC=C1N(c1ccccc1)c1c2ccccc2cc2c(-c3ccccc3Nc3ccccc3)cccc12
InChIInChI=1S/C39H32N2/c1-28-15-8-13-26-38(28)41(31-19-6-3-7-20-31)39-32-21-10-9-16-29(32)27-36-33(23-14-24-35(36)39)34-22-11-12-25-37(34)40-30-17-4-2-5-18-30/h2-14,16-28,40H,15H2,1H3
InChIKeyILALYGYTXPLXDK-UHFFFAOYSA-N
XLogP11.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 511.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-N,N-diphenylanthracen-9-amine
CID 135173917
1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
CID 142741242
N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
CID 22497353
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
N,10-diphenylanthracen-1-amine
CID 135183397
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
phenol;N-phenylnaphthalen-1-amine
CID 159146578
4-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-4-N-phenyl-1-N-(2-phenylphenyl)benzene-1,4-diamine
CID 146413891
N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
1-N,3-N-di(dibenzothiophen-3-yl)-5-(9,9-dimethylfluoren-2-yl)-3-N-(6-methylcyclohexa-1,3-dien-1-yl)-1-N-phenylbenzene-1,3-diamine
CID 131994187
2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine
CID 159097880

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine?
The IUPAC name of 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine (CID 166905607) is 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine.
What is the SMILES notation for 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine?
The canonical SMILES for 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine is CC1CC=CC=C1N(c1ccccc1)c1c2ccccc2cc2c(-c3ccccc3Nc3ccccc3)cccc12.
What is the InChIKey of 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine?
The InChIKey is ILALYGYTXPLXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2/c1-28-15-8-13-26-38(28)41(31-19-6-3-7-20-31)39-32-21-10-9-16-29(32)27-36-33(23-14-24-35(36)39)34-22-11-12-25-37(34)40-30-17-4-2-5-18-30/h2-14,16-28,40H,15H2,1H3.
What are the key properties of 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine?
4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine has a molecular weight of 528.70 g/mol, XLogP of 11.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine is sourced from PubChem (CID 166905607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).