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

C38H34N4 — CID 59844968

IUPAC9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
SMILESCCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C38H34N4/c1-3-11-27-17-23-35-33(25-27)34-26-28(12-4-2)18-24-36(34)41(35)31-19-21-32(22-20-31)42-37(29-13-7-5-8-14-29)39-40-38(42)30-15-9-6-10-16-30/h5-10,13-26H,3-4,11-12H2,1-2H3
InChIKeyUMHFPRCPHJLPRS-UHFFFAOYSA-N
MW546.72 g/mol
LogP9.60
Rot. Bonds8

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

9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole (PubChem CID 59844968) has the molecular formula C38H34N4 and a molecular weight of 546.72 g/mol. Its IUPAC name is 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole.

Molecular Properties

Compound Name9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
PubChem CID59844968
Molecular FormulaC38H34N4
Molecular Weight546.72 g/mol
Exact Mass546.28
IUPAC Name9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
SMILESCCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C38H34N4/c1-3-11-27-17-23-35-33(25-27)34-26-28(12-4-2)18-24-36(34)41(35)31-19-21-32(22-20-31)42-37(29-13-7-5-8-14-29)39-40-38(42)30-15-9-6-10-16-30/h5-10,13-26H,3-4,11-12H2,1-2H3
InChIKeyUMHFPRCPHJLPRS-UHFFFAOYSA-N
XLogP9.60
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.72
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
CID 59845057
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole
CID 71050650
3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306773
3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole
CID 63384355
3-ethyl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-6-propylcarbazole
CID 147345719
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-(4-methoxyphenyl)-3,6-dipropylcarbazole
CID 154963806
9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845018
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845044
9-[4-[3-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845055
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole?
The IUPAC name of 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole (CID 59844968) is 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole.
What is the SMILES notation for 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole?
The canonical SMILES for 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole is CCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole?
The InChIKey is UMHFPRCPHJLPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4/c1-3-11-27-17-23-35-33(25-27)34-26-28(12-4-2)18-24-36(34)41(35)31-19-21-32(22-20-31)42-37(29-13-7-5-8-14-29)39-40-38(42)30-15-9-6-10-16-30/h5-10,13-26H,3-4,11-12H2,1-2H3.
What are the key properties of 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole?
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole has a molecular weight of 546.72 g/mol, XLogP of 9.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole is sourced from PubChem (CID 59844968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).