2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole

C31H23N5 — CID 126699826

IUPAC2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(C6NNN6)c5c4)ccc32)cc1
InChIInChI=1S/C31H23N5/c1-2-8-22(9-3-1)35-27-12-6-5-11-24(27)26-18-20(15-17-29(26)35)21-14-16-25-23-10-4-7-13-28(23)36(30(25)19-21)31-32-34-33-31/h1-19,31-34H
InChIKeyHHJKHGQHRBNMEN-UHFFFAOYSA-N
MW465.56 g/mol
LogP6.63
Rot. Bonds3

About 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole

2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole (PubChem CID 126699826) has the molecular formula C31H23N5 and a molecular weight of 465.56 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole
PubChem CID126699826
Molecular FormulaC31H23N5
Molecular Weight465.56 g/mol
Exact Mass465.20
IUPAC Name2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(C6NNN6)c5c4)ccc32)cc1
InChIInChI=1S/C31H23N5/c1-2-8-22(9-3-1)35-27-12-6-5-11-24(27)26-18-20(15-17-29(26)35)21-14-16-25-23-10-4-7-13-28(23)36(30(25)19-21)31-32-34-33-31/h1-19,31-34H
InChIKeyHHJKHGQHRBNMEN-UHFFFAOYSA-N
XLogP6.63
TPSA45.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 56.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole (CID 126699826) is 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(C6NNN6)c5c4)ccc32)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole?
The InChIKey is HHJKHGQHRBNMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5/c1-2-8-22(9-3-1)35-27-12-6-5-11-24(27)26-18-20(15-17-29(26)35)21-14-16-25-23-10-4-7-13-28(23)36(30(25)19-21)31-32-34-33-31/h1-19,31-34H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole?
2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole has a molecular weight of 465.56 g/mol, XLogP of 6.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-9-(triazetidin-4-yl)carbazole is sourced from PubChem (CID 126699826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).