12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole

C63H41N7 — CID 156557968

IUPAC12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
SMILESC1=CCC(n2c3ccccc3c3ccc(-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)nc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc32)C=C1
InChIInChI=1S/C63H41N7/c1-4-18-42(19-5-1)67-55-31-17-13-27-51(55)59-56(67)37-36-50-47-26-12-16-30-54(47)70(60(50)59)63-65-61(40-32-34-48-45-24-10-14-28-52(45)68(57(48)38-40)43-20-6-2-7-21-43)64-62(66-63)41-33-35-49-46-25-11-15-29-53(46)69(58(49)39-41)44-22-8-3-9-23-44/h1-22,24-39,44H,23H2
InChIKeyCQUKOKPZEANSDE-UHFFFAOYSA-N
MW896.07 g/mol
LogP15.66
Rot. Bonds6

About 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole

12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 156557968) has the molecular formula C63H41N7 and a molecular weight of 896.07 g/mol. Its IUPAC name is 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
PubChem CID156557968
Molecular FormulaC63H41N7
Molecular Weight896.07 g/mol
Exact Mass895.34
IUPAC Name12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
SMILESC1=CCC(n2c3ccccc3c3ccc(-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)nc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc32)C=C1
InChIInChI=1S/C63H41N7/c1-4-18-42(19-5-1)67-55-31-17-13-27-51(55)59-56(67)37-36-50-47-26-12-16-30-54(47)70(60(50)59)63-65-61(40-32-34-48-45-24-10-14-28-52(45)68(57(48)38-40)43-20-6-2-7-21-43)64-62(66-63)41-33-35-49-46-25-11-15-29-53(46)69(58(49)39-41)44-22-8-3-9-23-44/h1-22,24-39,44H,23H2
InChIKeyCQUKOKPZEANSDE-UHFFFAOYSA-N
XLogP15.66
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.07
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole 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

5-[2-(11-cyclohexa-2,4-dien-1-ylindolo[3,2-b]carbazol-5-yl)pyrimido[4,5-d]pyrimidin-7-yl]-12-phenylindolo[3,2-c]carbazole
CID 70912496
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 88529559
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856
10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 129141718
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 158439679
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
12-cyclohexa-2,4-dien-1-yl-5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]indolo[3,2-c]carbazole
CID 163698771
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159270827
[4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
CID 177276867
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole (CID 156557968) is 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole is C1=CCC(n2c3ccccc3c3ccc(-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)nc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc32)C=C1.
What is the InChIKey of 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is CQUKOKPZEANSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N7/c1-4-18-42(19-5-1)67-55-31-17-13-27-51(55)59-56(67)37-36-50-47-26-12-16-30-54(47)70(60(50)59)63-65-61(40-32-34-48-45-24-10-14-28-52(45)68(57(48)38-40)43-20-6-2-7-21-43)64-62(66-63)41-33-35-49-46-25-11-15-29-53(46)69(58(49)39-41)44-22-8-3-9-23-44/h1-22,24-39,44H,23H2.
What are the key properties of 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 896.07 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 156557968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).