11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole

C40H27N5 — CID 156569449

IUPAC11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
SMILESC1=CCC=CC(n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c32)=C1
InChIInChI=1S/C40H27N5/c1-2-10-20-29(19-9-1)44-34-23-13-11-21-30(34)32-25-26-33-31-22-12-14-24-35(31)45(37(33)36(32)44)40-42-38(27-15-5-3-6-16-27)41-39(43-40)28-17-7-4-8-18-28/h1,3-26H,2H2
InChIKeyBKLYPOLMDKBTLY-UHFFFAOYSA-N
MW577.69 g/mol
LogP9.77
Rot. Bonds4

About 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole

11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (PubChem CID 156569449) has the molecular formula C40H27N5 and a molecular weight of 577.69 g/mol. Its IUPAC name is 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
PubChem CID156569449
Molecular FormulaC40H27N5
Molecular Weight577.69 g/mol
Exact Mass577.23
IUPAC Name11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
SMILESC1=CCC=CC(n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c32)=C1
InChIInChI=1S/C40H27N5/c1-2-10-20-29(19-9-1)44-34-23-13-11-21-30(34)32-25-26-33-31-22-12-14-24-35(31)45(37(33)36(32)44)40-42-38(27-15-5-3-6-16-27)41-39(43-40)28-17-7-4-8-18-28/h1,3-26H,2H2
InChIKeyBKLYPOLMDKBTLY-UHFFFAOYSA-N
XLogP9.77
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]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

6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
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
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole
CID 59413482
12-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 130183985
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
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027
11-[2-phenyl-4-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167154429
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 170268449

Frequently Asked Questions

What is the IUPAC name of 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?
The IUPAC name of 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (CID 156569449) is 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is C1=CCC=CC(n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c32)=C1.
What is the InChIKey of 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?
The InChIKey is BKLYPOLMDKBTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5/c1-2-10-20-29(19-9-1)44-34-23-13-11-21-30(34)32-25-26-33-31-22-12-14-24-35(31)45(37(33)36(32)44)40-42-38(27-15-5-3-6-16-27)41-39(43-40)28-17-7-4-8-18-28/h1,3-26H,2H2.
What are the key properties of 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?
11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 577.69 g/mol, XLogP of 9.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 156569449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).