3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole

C35H31N5 — CID 175536301

IUPAC3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole
SMILESCCCCc1c(CCCC)c(-c2ccccc2)c(-c2ccnnn2)c2c1N=c1ccc3c(c1-2)N=c1ccccc1=3
InChIInChI=1S/C35H31N5/c1-3-5-14-24-25(15-6-4-2)35-33(31(29-20-21-36-40-39-29)30(24)22-12-8-7-9-13-22)32-28(38-35)19-18-26-23-16-10-11-17-27(23)37-34(26)32/h7-13,16-21H,3-6,14-15H2,1-2H3
InChIKeyAYRKVTMKRWHOHV-UHFFFAOYSA-N
MW521.67 g/mol
LogP7.37
Rot. Bonds8

About 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole

3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole (PubChem CID 175536301) has the molecular formula C35H31N5 and a molecular weight of 521.67 g/mol. Its IUPAC name is 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole
PubChem CID175536301
Molecular FormulaC35H31N5
Molecular Weight521.67 g/mol
Exact Mass521.26
IUPAC Name3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole
SMILESCCCCc1c(CCCC)c(-c2ccccc2)c(-c2ccnnn2)c2c1N=c1ccc3c(c1-2)N=c1ccccc1=3
InChIInChI=1S/C35H31N5/c1-3-5-14-24-25(15-6-4-2)35-33(31(29-20-21-36-40-39-29)30(24)22-12-8-7-9-13-22)32-28(38-35)19-18-26-23-16-10-11-17-27(23)37-34(26)32/h7-13,16-21H,3-6,14-15H2,1-2H3
InChIKeyAYRKVTMKRWHOHV-UHFFFAOYSA-N
XLogP7.37
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole?
The IUPAC name of 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole (CID 175536301) is 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole is CCCCc1c(CCCC)c(-c2ccccc2)c(-c2ccnnn2)c2c1N=c1ccc3c(c1-2)N=c1ccccc1=3.
What is the InChIKey of 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole?
The InChIKey is AYRKVTMKRWHOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N5/c1-3-5-14-24-25(15-6-4-2)35-33(31(29-20-21-36-40-39-29)30(24)22-12-8-7-9-13-22)32-28(38-35)19-18-26-23-16-10-11-17-27(23)37-34(26)32/h7-13,16-21H,3-6,14-15H2,1-2H3.
What are the key properties of 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole?
3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole has a molecular weight of 521.67 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-2-phenyl-1-(triazin-4-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 175536301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).