4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline

C39H34N4 — CID 139525782

IUPAC4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline
SMILESC1=CC(C2=C(c3ccccc3)NC(c3ccc(-c4cc5c(c6[nH]ccc46)NCC=C5)cc3)NC2c2ccccc2)=CCC1
InChIInChI=1S/C39H34N4/c1-4-11-27(12-5-1)34-35(28-13-6-2-7-14-28)42-39(43-36(34)29-15-8-3-9-16-29)30-20-18-26(19-21-30)33-25-31-17-10-23-40-37(31)38-32(33)22-24-41-38/h2-4,6-22,24-25,35,39-43H,1,5,23H2
InChIKeyKSLJMTFWHAGTQY-UHFFFAOYSA-N
MW558.73 g/mol
LogP8.89
Rot. Bonds5

About 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline

4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline (PubChem CID 139525782) has the molecular formula C39H34N4 and a molecular weight of 558.73 g/mol. Its IUPAC name is 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline.

Molecular Properties

Compound Name4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline
PubChem CID139525782
Molecular FormulaC39H34N4
Molecular Weight558.73 g/mol
Exact Mass558.28
IUPAC Name4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline
SMILESC1=CC(C2=C(c3ccccc3)NC(c3ccc(-c4cc5c(c6[nH]ccc46)NCC=C5)cc3)NC2c2ccccc2)=CCC1
InChIInChI=1S/C39H34N4/c1-4-11-27(12-5-1)34-35(28-13-6-2-7-14-28)42-39(43-36(34)29-15-8-3-9-16-29)30-20-18-26(19-21-30)33-25-31-17-10-23-40-37(31)38-32(33)22-24-41-38/h2-4,6-22,24-25,35,39-43H,1,5,23H2
InChIKeyKSLJMTFWHAGTQY-UHFFFAOYSA-N
XLogP8.89
TPSA51.88 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.73
LogP ≤ 58.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
4-[4-[4-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazinan-2-yl)phenyl]naphthalen-1-yl]phenyl]cyclohexa-1,3-diene-1-carbonitrile
CID 170004680
6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
CID 129201054
2-cyclohexa-1,5-dien-1-yl-5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 145067902
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 166859603
5-cyclohexa-1,5-dien-1-yl-6-methyl-2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydropyrimidine
CID 139525796
4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine
CID 174298006
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175611148
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline?
The IUPAC name of 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline (CID 139525782) is 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline.
What is the SMILES notation for 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline?
The canonical SMILES for 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline is C1=CC(C2=C(c3ccccc3)NC(c3ccc(-c4cc5c(c6[nH]ccc46)NCC=C5)cc3)NC2c2ccccc2)=CCC1.
What is the InChIKey of 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline?
The InChIKey is KSLJMTFWHAGTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4/c1-4-11-27(12-5-1)34-35(28-13-6-2-7-14-28)42-39(43-36(34)29-15-8-3-9-16-29)30-20-18-26(19-21-30)33-25-31-17-10-23-40-37(31)38-32(33)22-24-41-38/h2-4,6-22,24-25,35,39-43H,1,5,23H2.
What are the key properties of 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline?
4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline has a molecular weight of 558.73 g/mol, XLogP of 8.89, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-8,9-dihydro-1H-pyrrolo[3,2-h]quinoline is sourced from PubChem (CID 139525782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).