N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine

C54H36N2 — CID 118312564

IUPACN-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine
SMILESCc1cc(-c2ccc(N(c3ccccc3)c3ccc4cccnc4c3)cc2)c2cccc3c2c1-c1c-3c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C54H36N2/c1-35-33-47(36-26-29-41(30-27-36)56(40-20-9-4-10-21-40)42-31-28-37-19-14-32-55-48(37)34-42)45-24-13-25-46-52(45)49(35)54-51(39-17-7-3-8-18-39)44-23-12-11-22-43(44)50(53(46)54)38-15-5-2-6-16-38/h2-34H,1H3
InChIKeyHBBMIHDMQSIAHO-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.97
Rot. Bonds6

About N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine

N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine (PubChem CID 118312564) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine.

Molecular Properties

Compound NameN-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine
PubChem CID118312564
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine
SMILESCc1cc(-c2ccc(N(c3ccccc3)c3ccc4cccnc4c3)cc2)c2cccc3c2c1-c1c-3c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C54H36N2/c1-35-33-47(36-26-29-41(30-27-36)56(40-20-9-4-10-21-40)42-31-28-37-19-14-32-55-48(37)34-42)45-24-13-25-46-52(45)49(35)54-51(39-17-7-3-8-18-39)44-23-12-11-22-43(44)50(53(46)54)38-15-5-2-6-16-38/h2-34H,1H3
InChIKeyHBBMIHDMQSIAHO-UHFFFAOYSA-N
XLogP14.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine
CID 58511469
4-N-[9,10-bis(3-quinolin-7-ylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211045
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,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline
CID 145350869
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
N-(4-benzo[f]quinolin-6-ylphenyl)-N-(4-benzo[f]quinolin-7-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404939
N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 140943835
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-quinolin-7-ylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-quinolin-7-ylphenyl)anthracen-2-amine
CID 161402037
13,20-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032727
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine?
The IUPAC name of N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine (CID 118312564) is N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine.
What is the SMILES notation for N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine?
The canonical SMILES for N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine is Cc1cc(-c2ccc(N(c3ccccc3)c3ccc4cccnc4c3)cc2)c2cccc3c2c1-c1c-3c(-c2ccccc2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine?
The InChIKey is HBBMIHDMQSIAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-35-33-47(36-26-29-41(30-27-36)56(40-20-9-4-10-21-40)42-31-28-37-19-14-32-55-48(37)34-42)45-24-13-25-46-52(45)49(35)54-51(39-17-7-3-8-18-39)44-23-12-11-22-43(44)50(53(46)54)38-15-5-2-6-16-38/h2-34H,1H3.
What are the key properties of N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine?
N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine has a molecular weight of 712.90 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine is sourced from PubChem (CID 118312564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).