N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine

C33H23N3 — CID 163476821

IUPACN-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine
SMILESCc1c2ccccc2c(N(c2ccccc2)c2cnc3cc4cccnc4cc3c2)c2ccccc12
InChIInChI=1S/C33H23N3/c1-22-27-13-5-7-15-29(27)33(30-16-8-6-14-28(22)30)36(25-11-3-2-4-12-25)26-18-24-20-31-23(10-9-17-34-31)19-32(24)35-21-26/h2-21H,1H3
InChIKeyCBDJJWJXXNCDEF-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.87
Rot. Bonds3

About N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine

N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine (PubChem CID 163476821) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine.

Molecular Properties

Compound NameN-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine
PubChem CID163476821
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC NameN-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine
SMILESCc1c2ccccc2c(N(c2ccccc2)c2cnc3cc4cccnc4cc3c2)c2ccccc12
InChIInChI=1S/C33H23N3/c1-22-27-13-5-7-15-29(27)33(30-16-8-6-14-28(22)30)36(25-11-3-2-4-12-25)26-18-24-20-31-23(10-9-17-34-31)19-32(24)35-21-26/h2-21H,1H3
InChIKeyCBDJJWJXXNCDEF-UHFFFAOYSA-N
XLogP8.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
1-N,3-N,6-N,8-N-tetrakis(3-methyl-1,5-naphthyridin-4-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
CID 176876488
N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
10-methyl-N,N,2,6-tetraphenylanthracen-9-amine
CID 89284135
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
CID 58988982
9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine
CID 123403469
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine
CID 118312564
10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine
CID 91020941
6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine
CID 70882539
5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine
CID 59390845

Frequently Asked Questions

What is the IUPAC name of N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine?
The IUPAC name of N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine (CID 163476821) is N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine.
What is the SMILES notation for N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine?
The canonical SMILES for N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine is Cc1c2ccccc2c(N(c2ccccc2)c2cnc3cc4cccnc4cc3c2)c2ccccc12.
What is the InChIKey of N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine?
The InChIKey is CBDJJWJXXNCDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-22-27-13-5-7-15-29(27)33(30-16-8-6-14-28(22)30)36(25-11-3-2-4-12-25)26-18-24-20-31-23(10-9-17-34-31)19-32(24)35-21-26/h2-21H,1H3.
What are the key properties of N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine?
N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine has a molecular weight of 461.57 g/mol, XLogP of 8.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-methylanthracen-9-yl)-N-phenylpyrido[2,3-g]quinolin-3-amine is sourced from PubChem (CID 163476821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).