6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline

C44H37N5 — CID 146481040

IUPAC6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline
SMILESCC1C=Cc2c(n(-c3ccccc3)c3c(-c4cccc(-c5nc(C6=CC=CCC6)nc(-c6ccccc6)n5)c4)nc4c(c23)C(C)CC=C4)C1
InChIInChI=1S/C44H37N5/c1-28-24-25-35-37(26-28)49(34-21-10-5-11-22-34)41-39(35)38-29(2)14-12-23-36(38)45-40(41)32-19-13-20-33(27-32)44-47-42(30-15-6-3-7-16-30)46-43(48-44)31-17-8-4-9-18-31/h3-8,10-13,15-17,19-25,27-29H,9,14,18,26H2,1-2H3
InChIKeyOGISAEPPIFMIHS-UHFFFAOYSA-N
MW635.82 g/mol
LogP10.67
Rot. Bonds5

About 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline

6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline (PubChem CID 146481040) has the molecular formula C44H37N5 and a molecular weight of 635.82 g/mol. Its IUPAC name is 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline
PubChem CID146481040
Molecular FormulaC44H37N5
Molecular Weight635.82 g/mol
Exact Mass635.30
IUPAC Name6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline
SMILESCC1C=Cc2c(n(-c3ccccc3)c3c(-c4cccc(-c5nc(C6=CC=CCC6)nc(-c6ccccc6)n5)c4)nc4c(c23)C(C)CC=C4)C1
InChIInChI=1S/C44H37N5/c1-28-24-25-35-37(26-28)49(34-21-10-5-11-22-34)41-39(35)38-29(2)14-12-23-36(38)45-40(41)32-19-13-20-33(27-32)44-47-42(30-15-6-3-7-16-30)46-43(48-44)31-17-8-4-9-18-31/h3-8,10-13,15-17,19-25,27-29H,9,14,18,26H2,1-2H3
InChIKeyOGISAEPPIFMIHS-UHFFFAOYSA-N
XLogP10.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.82
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline with MolForge

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Related Compounds

9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole
CID 170065557
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
1-methyl-9-[6-[4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,2-dihydrocarbazole
CID 166988457
9-[3-(1,2-dihydrocarbazol-9-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2-methyl-1,2-dihydrocarbazole
CID 146321185
2-cyclohexa-1,3-dien-1-yl-4-[3-[8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 130439927
2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 167007661
10'-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,2,4b,8a-tetrahydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,18-octaene]
CID 137383558
2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 129171468
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198719
11-methyl-5-phenyl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,11-dihydroindolo[2,3-b]carbazole
CID 162362953
2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine
CID 155058663
2-[3-(4-bromophenyl)phenyl]-4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 163916839

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline?
The IUPAC name of 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline (CID 146481040) is 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline.
What is the SMILES notation for 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline?
The canonical SMILES for 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline is CC1C=Cc2c(n(-c3ccccc3)c3c(-c4cccc(-c5nc(C6=CC=CCC6)nc(-c6ccccc6)n5)c4)nc4c(c23)C(C)CC=C4)C1.
What is the InChIKey of 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline?
The InChIKey is OGISAEPPIFMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N5/c1-28-24-25-35-37(26-28)49(34-21-10-5-11-22-34)41-39(35)38-29(2)14-12-23-36(38)45-40(41)32-19-13-20-33(27-32)44-47-42(30-15-6-3-7-16-30)46-43(48-44)31-17-8-4-9-18-31/h3-8,10-13,15-17,19-25,27-29H,9,14,18,26H2,1-2H3.
What are the key properties of 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline?
6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline has a molecular weight of 635.82 g/mol, XLogP of 10.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline is sourced from PubChem (CID 146481040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).