9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole

C42H33N5 — CID 145105608

IUPAC9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole
SMILESCC1CC=CC=C1c1nc(-c2ccccc2)nc(-n2c3c(c(-c4ccccc4)c2-n2c4ccccc4c4ccccc42)CCC=C3)n1
InChIInChI=1S/C42H33N5/c1-28-16-8-9-21-31(28)40-43-39(30-19-6-3-7-20-30)44-42(45-40)47-37-27-15-12-24-34(37)38(29-17-4-2-5-18-29)41(47)46-35-25-13-10-22-32(35)33-23-11-14-26-36(33)46/h2-11,13-15,17-23,25-28H,12,16,24H2,1H3
InChIKeyLRIWAIZLXGXEFG-UHFFFAOYSA-N
MW607.76 g/mol
LogP10.03
Rot. Bonds5

About 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole

9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole (PubChem CID 145105608) has the molecular formula C42H33N5 and a molecular weight of 607.76 g/mol. Its IUPAC name is 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole.

Molecular Properties

Compound Name9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole
PubChem CID145105608
Molecular FormulaC42H33N5
Molecular Weight607.76 g/mol
Exact Mass607.27
IUPAC Name9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole
SMILESCC1CC=CC=C1c1nc(-c2ccccc2)nc(-n2c3c(c(-c4ccccc4)c2-n2c4ccccc4c4ccccc42)CCC=C3)n1
InChIInChI=1S/C42H33N5/c1-28-16-8-9-21-31(28)40-43-39(30-19-6-3-7-20-30)44-42(45-40)47-37-27-15-12-24-34(37)38(29-17-4-2-5-18-29)41(47)46-35-25-13-10-22-32(35)33-23-11-14-26-36(33)46/h2-11,13-15,17-23,25-28H,12,16,24H2,1H3
InChIKeyLRIWAIZLXGXEFG-UHFFFAOYSA-N
XLogP10.03
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole
CID 166647626
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,9,14(22),16,18,20,23-decaene
CID 90247497
11-phenyl-12-[4-(11-phenyl-7,8-dihydroindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 147175999
9-[3-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-thia-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-2(10),3,5,7,11,15,17,19,21-nonaene
CID 123193035
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole
CID 175630031
6-(6-methylcyclohexa-1,3-dien-1-yl)-11-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]indolo[3,2-c]quinoline
CID 146481026
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole
CID 134240137
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 166695966

Frequently Asked Questions

What is the IUPAC name of 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole?
The IUPAC name of 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole (CID 145105608) is 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole.
What is the SMILES notation for 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole?
The canonical SMILES for 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole is CC1CC=CC=C1c1nc(-c2ccccc2)nc(-n2c3c(c(-c4ccccc4)c2-n2c4ccccc4c4ccccc42)CCC=C3)n1.
What is the InChIKey of 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole?
The InChIKey is LRIWAIZLXGXEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N5/c1-28-16-8-9-21-31(28)40-43-39(30-19-6-3-7-20-30)44-42(45-40)47-37-27-15-12-24-34(37)38(29-17-4-2-5-18-29)41(47)46-35-25-13-10-22-32(35)33-23-11-14-26-36(33)46/h2-11,13-15,17-23,25-28H,12,16,24H2,1H3.
What are the key properties of 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole?
9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole has a molecular weight of 607.76 g/mol, XLogP of 10.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole is sourced from PubChem (CID 145105608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).