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

C43H31N7 — CID 70669820

IUPAC9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole
SMILESCc1cc(-c2nnc(-c3ccnc(-n4c5c(c6ccccc64)C=CCC5)c3)n2-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H31N7/c1-28-25-35(45-41(26-28)50-38-21-11-7-17-33(38)34-18-8-12-22-39(34)50)43-47-46-42(48(43)30-13-3-2-4-14-30)29-23-24-44-40(27-29)49-36-19-9-5-15-31(36)32-16-6-10-20-37(32)49/h2-9,11-19,21-27H,10,20H2,1H3
InChIKeyCJISPTWOXJBXHC-UHFFFAOYSA-N
MW645.77 g/mol
LogP9.70
Rot. Bonds5

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

9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole (PubChem CID 70669820) has the molecular formula C43H31N7 and a molecular weight of 645.77 g/mol. Its IUPAC name is 9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole
PubChem CID70669820
Molecular FormulaC43H31N7
Molecular Weight645.77 g/mol
Exact Mass645.26
IUPAC Name9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole
SMILESCc1cc(-c2nnc(-c3ccnc(-n4c5c(c6ccccc64)C=CCC5)c3)n2-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H31N7/c1-28-25-35(45-41(26-28)50-38-21-11-7-17-33(38)34-18-8-12-22-39(34)50)43-47-46-42(48(43)30-13-3-2-4-14-30)29-23-24-44-40(27-29)49-36-19-9-5-15-31(36)32-16-6-10-20-37(32)49/h2-9,11-19,21-27H,10,20H2,1H3
InChIKeyCJISPTWOXJBXHC-UHFFFAOYSA-N
XLogP9.70
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.77
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
CID 58500998
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole
CID 58500961
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 161261122
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde
CID 89166054
9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole
CID 166931652
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120

Frequently Asked Questions

What is the IUPAC name of 9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole?
The IUPAC name of 9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole (CID 70669820) is 9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole?
The canonical SMILES for 9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole is Cc1cc(-c2nnc(-c3ccnc(-n4c5c(c6ccccc64)C=CCC5)c3)n2-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole?
The InChIKey is CJISPTWOXJBXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N7/c1-28-25-35(45-41(26-28)50-38-21-11-7-17-33(38)34-18-8-12-22-39(34)50)43-47-46-42(48(43)30-13-3-2-4-14-30)29-23-24-44-40(27-29)49-36-19-9-5-15-31(36)32-16-6-10-20-37(32)49/h2-9,11-19,21-27H,10,20H2,1H3.
What are the key properties of 9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole?
9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole has a molecular weight of 645.77 g/mol, XLogP of 9.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole is sourced from PubChem (CID 70669820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).