9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole

C44H29N5 — CID 121241302

IUPAC9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C44H29N5/c1-3-15-30(16-4-1)43-44(49(46-45-43)31-17-5-2-6-18-31)37-24-14-28-41-42(37)36-23-9-12-27-40(36)48(41)33-20-13-19-32(29-33)47-38-25-10-7-21-34(38)35-22-8-11-26-39(35)47/h1-29H
InChIKeyTXBCYDIJEIMLPZ-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.80
Rot. Bonds5

About 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole

9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole (PubChem CID 121241302) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole
PubChem CID121241302
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C44H29N5/c1-3-15-30(16-4-1)43-44(49(46-45-43)31-17-5-2-6-18-31)37-24-14-28-41-42(37)36-23-9-12-27-40(36)48(41)33-20-13-19-32(29-33)47-38-25-10-7-21-34(38)35-22-8-11-26-39(35)47/h1-29H
InChIKeyTXBCYDIJEIMLPZ-UHFFFAOYSA-N
XLogP10.80
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-carbazol-9-ylphenyl)-4-(1,5-diphenyltriazol-4-yl)carbazole
CID 121241303
12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 153445986
9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole
CID 121241279
5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226928
12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 90193717
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole
CID 122593896
12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 90193708
9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122670

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole (CID 121241302) is 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole is c1ccc(-c2nnn(-c3ccccc3)c2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole?
The InChIKey is TXBCYDIJEIMLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-3-15-30(16-4-1)43-44(49(46-45-43)31-17-5-2-6-18-31)37-24-14-28-41-42(37)36-23-9-12-27-40(36)48(41)33-20-13-19-32(29-33)47-38-25-10-7-21-34(38)35-22-8-11-26-39(35)47/h1-29H.
What are the key properties of 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole?
9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole has a molecular weight of 627.75 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole is sourced from PubChem (CID 121241302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).