N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine

C55H38N2 — CID 166714278

IUPACN-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine
SMILESC1=CCC2=C3C(=C1)c1c(c(-c4ccccc4)c4ccccc4c1-c1ccccc1)C3=CC=CC2c1ccc(N(c2ccccc2)c2cccc3ncccc23)cc1
InChIInChI=1S/C55H38N2/c1-4-17-38(18-5-1)51-44-24-10-11-25-45(44)52(39-19-6-2-7-20-39)55-48-28-14-27-42(43-23-12-13-26-47(53(43)48)54(51)55)37-32-34-41(35-33-37)57(40-21-8-3-9-22-40)50-31-15-30-49-46(50)29-16-36-56-49/h1-22,24-36,42H,23H2
InChIKeyWGBKHLHZFRNJAQ-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.58
Rot. Bonds6

About N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine

N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine (PubChem CID 166714278) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine.

Molecular Properties

Compound NameN-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine
PubChem CID166714278
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC NameN-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine
SMILESC1=CCC2=C3C(=C1)c1c(c(-c4ccccc4)c4ccccc4c1-c1ccccc1)C3=CC=CC2c1ccc(N(c2ccccc2)c2cccc3ncccc23)cc1
InChIInChI=1S/C55H38N2/c1-4-17-38(18-5-1)51-44-24-10-11-25-45(44)52(39-19-6-2-7-20-39)55-48-28-14-27-42(43-23-12-13-26-47(53(43)48)54(51)55)37-32-34-41(35-33-37)57(40-21-8-3-9-22-40)50-31-15-30-49-46(50)29-16-36-56-49/h1-22,24-36,42H,23H2
InChIKeyWGBKHLHZFRNJAQ-UHFFFAOYSA-N
XLogP14.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine with MolForge

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Related Compounds

9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine
CID 59844236
N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine
CID 138624933
N-[4-(12-cyclohepta-1,3,6-trien-1-yl-7-phenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylbenzo[h]quinolin-6-amine
CID 166714248
4-N-[9,10-bis(3-quinolin-7-ylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211045
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-6-amine
CID 166861996
N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine
CID 167123024
9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 169063139
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine
CID 59211139
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine
CID 118312564
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390674

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine?
The IUPAC name of N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine (CID 166714278) is N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine.
What is the SMILES notation for N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine?
The canonical SMILES for N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine is C1=CCC2=C3C(=C1)c1c(c(-c4ccccc4)c4ccccc4c1-c1ccccc1)C3=CC=CC2c1ccc(N(c2ccccc2)c2cccc3ncccc23)cc1.
What is the InChIKey of N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine?
The InChIKey is WGBKHLHZFRNJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-4-17-38(18-5-1)51-44-24-10-11-25-45(44)52(39-19-6-2-7-20-39)55-48-28-14-27-42(43-23-12-13-26-47(53(43)48)54(51)55)37-32-34-41(35-33-37)57(40-21-8-3-9-22-40)50-31-15-30-49-46(50)29-16-36-56-49/h1-22,24-36,42H,23H2.
What are the key properties of N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine?
N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine has a molecular weight of 726.92 g/mol, XLogP of 14.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine is sourced from PubChem (CID 166714278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).