1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole

C48H31N7 — CID 122594079

IUPAC1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole
SMILESc1ccc(-n2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nnc2-c2cccc3c4ccccc4n(-c4cccc(-c5cccnc5)n4)c23)cc1
InChIInChI=1S/C48H31N7/c1-3-15-34(16-4-1)53-42-24-9-8-20-37(42)40-30-32(27-28-44(40)53)47-51-52-48(54(47)35-17-5-2-6-18-35)39-22-11-21-38-36-19-7-10-25-43(36)55(46(38)39)45-26-12-23-41(50-45)33-14-13-29-49-31-33/h1-31H
InChIKeySUDVRRZHIYUVNS-UHFFFAOYSA-N
MW705.83 g/mol
LogP11.25
Rot. Bonds6

About 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole

1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole (PubChem CID 122594079) has the molecular formula C48H31N7 and a molecular weight of 705.83 g/mol. Its IUPAC name is 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole
PubChem CID122594079
Molecular FormulaC48H31N7
Molecular Weight705.83 g/mol
Exact Mass705.26
IUPAC Name1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole
SMILESc1ccc(-n2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nnc2-c2cccc3c4ccccc4n(-c4cccc(-c5cccnc5)n4)c23)cc1
InChIInChI=1S/C48H31N7/c1-3-15-34(16-4-1)53-42-24-9-8-20-37(42)40-30-32(27-28-44(40)53)47-51-52-48(54(47)35-17-5-2-6-18-35)39-22-11-21-38-36-19-7-10-25-43(36)55(46(38)39)45-26-12-23-41(50-45)33-14-13-29-49-31-33/h1-31H
InChIKeySUDVRRZHIYUVNS-UHFFFAOYSA-N
XLogP11.25
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.83
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;3-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;3-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]carbazole;4-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole
CID 161182261
2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole
CID 122593968
5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole
CID 129063059
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
CID 158523866
14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
CID 90267193
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
CID 157365723
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole
CID 122594038
3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 160598852
11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
CID 144568618
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
CID 158617740

Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole?
The IUPAC name of 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole (CID 122594079) is 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole?
The canonical SMILES for 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole is c1ccc(-n2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nnc2-c2cccc3c4ccccc4n(-c4cccc(-c5cccnc5)n4)c23)cc1.
What is the InChIKey of 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole?
The InChIKey is SUDVRRZHIYUVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7/c1-3-15-34(16-4-1)53-42-24-9-8-20-37(42)40-30-32(27-28-44(40)53)47-51-52-48(54(47)35-17-5-2-6-18-35)39-22-11-21-38-36-19-7-10-25-43(36)55(46(38)39)45-26-12-23-41(50-45)33-14-13-29-49-31-33/h1-31H.
What are the key properties of 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole?
1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole has a molecular weight of 705.83 g/mol, XLogP of 11.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 122594079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).