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

C37H32N4 — CID 71050650

IUPAC9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole
SMILESCCc1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C37H32N4/c1-4-26-15-21-34-32(23-26)33-24-29(25(2)3)16-22-35(33)40(34)30-17-19-31(20-18-30)41-36(27-11-7-5-8-12-27)38-39-37(41)28-13-9-6-10-14-28/h5-25H,4H2,1-3H3
InChIKeyCXDZNCTYVJJVIM-UHFFFAOYSA-N
MW532.69 g/mol
LogP9.38
Rot. Bonds6

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

9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole (PubChem CID 71050650) has the molecular formula C37H32N4 and a molecular weight of 532.69 g/mol. Its IUPAC name is 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole.

Molecular Properties

Compound Name9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole
PubChem CID71050650
Molecular FormulaC37H32N4
Molecular Weight532.69 g/mol
Exact Mass532.26
IUPAC Name9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole
SMILESCCc1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C37H32N4/c1-4-26-15-21-34-32(23-26)33-24-29(25(2)3)16-22-35(33)40(34)30-17-19-31(20-18-30)41-36(27-11-7-5-8-12-27)38-39-37(41)28-13-9-6-10-14-28/h5-25H,4H2,1-3H3
InChIKeyCXDZNCTYVJJVIM-UHFFFAOYSA-N
XLogP9.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 59.38
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
3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
CID 59845057
4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 157255945
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-6-ethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propan-2-ylcarbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propylcarbazole
CID 158305492
3-(4-benzylphenyl)-9-phenyl-6-propan-2-ylcarbazole
CID 158357901
4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858265
3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307006
2-[4-[2-[2-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-dibutylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-di(propan-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 161304769
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole
CID 67574355
3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266244
4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858222

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole?
The IUPAC name of 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole (CID 71050650) is 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole.
What is the SMILES notation for 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole?
The canonical SMILES for 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole is CCc1ccc2c(c1)c1cc(C(C)C)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-ethyl-6-propan-2-ylcarbazole?
The InChIKey is CXDZNCTYVJJVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4/c1-4-26-15-21-34-32(23-26)33-24-29(25(2)3)16-22-35(33)40(34)30-17-19-31(20-18-30)41-36(27-11-7-5-8-12-27)38-39-37(41)28-13-9-6-10-14-28/h5-25H,4H2,1-3H3.
What are the key properties of 9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole?
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole has a molecular weight of 532.69 g/mol, XLogP of 9.38, 6 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-ethyl-6-propan-2-ylcarbazole is sourced from PubChem (CID 71050650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).