3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole

C40H38N4 — CID 59845057

IUPAC3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
SMILESCCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C40H38N4/c1-3-5-13-29-19-25-37-35(27-29)36-28-30(14-6-4-2)20-26-38(36)43(37)33-21-23-34(24-22-33)44-39(31-15-9-7-10-16-31)41-42-40(44)32-17-11-8-12-18-32/h7-12,15-28H,3-6,13-14H2,1-2H3
InChIKeyOCNVHTGLVFELCW-UHFFFAOYSA-N
MW574.77 g/mol
LogP10.38
Rot. Bonds10

About 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole

3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole (PubChem CID 59845057) has the molecular formula C40H38N4 and a molecular weight of 574.77 g/mol. Its IUPAC name is 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
PubChem CID59845057
Molecular FormulaC40H38N4
Molecular Weight574.77 g/mol
Exact Mass574.31
IUPAC Name3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
SMILESCCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C40H38N4/c1-3-5-13-29-19-25-37-35(27-29)36-28-30(14-6-4-2)20-26-38(36)43(37)33-21-23-34(24-22-33)44-39(31-15-9-7-10-16-31)41-42-40(44)32-17-11-8-12-18-32/h7-12,15-28H,3-6,13-14H2,1-2H3
InChIKeyOCNVHTGLVFELCW-UHFFFAOYSA-N
XLogP10.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
CID 59844968
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole
CID 71050650
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
CID 174005636
CID 174005636
9-[4-(4-butyl-2-phenylphenyl)phenyl]-14-[4-(2-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 177063318
2,10-dibutyl-7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 165067145
3,6-dibutyl-9-[4-[4-[3-[4-(3-butylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]carbazole
CID 146355722
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306773
butane;3,8-dibutyl-11-phenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 142314968
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937

Frequently Asked Questions

What is the IUPAC name of 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole?
The IUPAC name of 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole (CID 59845057) is 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole?
The canonical SMILES for 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole is CCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1.
What is the InChIKey of 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole?
The InChIKey is OCNVHTGLVFELCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N4/c1-3-5-13-29-19-25-37-35(27-29)36-28-30(14-6-4-2)20-26-38(36)43(37)33-21-23-34(24-22-33)44-39(31-15-9-7-10-16-31)41-42-40(44)32-17-11-8-12-18-32/h7-12,15-28H,3-6,13-14H2,1-2H3.
What are the key properties of 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole?
3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole has a molecular weight of 574.77 g/mol, XLogP of 10.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole is sourced from PubChem (CID 59845057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).