5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole

C28H18N4 — CID 164740370

IUPAC5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole
SMILESc1ccc(-n2nc3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3n2)cc1
InChIInChI=1S/C28H18N4/c1-2-10-21(11-3-1)32-29-25-15-14-22(18-26(25)30-32)31-27-13-7-6-12-23(27)24-16-19-8-4-5-9-20(19)17-28(24)31/h1-18H
InChIKeyOUBWJVNCGJKONY-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.67
Rot. Bonds2

About 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole

5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole (PubChem CID 164740370) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole
PubChem CID164740370
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole
SMILESc1ccc(-n2nc3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3n2)cc1
InChIInChI=1S/C28H18N4/c1-2-10-21(11-3-1)32-29-25-15-14-22(18-26(25)30-32)31-27-13-7-6-12-23(27)24-16-19-8-4-5-9-20(19)17-28(24)31/h1-18H
InChIKeyOUBWJVNCGJKONY-UHFFFAOYSA-N
XLogP6.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 157468532
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375622
2-carbazol-9-yl-5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477424
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole?
The IUPAC name of 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole (CID 164740370) is 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole?
The canonical SMILES for 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole is c1ccc(-n2nc3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3n2)cc1.
What is the InChIKey of 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole?
The InChIKey is OUBWJVNCGJKONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-2-10-21(11-3-1)32-29-25-15-14-22(18-26(25)30-32)31-27-13-7-6-12-23(27)24-16-19-8-4-5-9-20(19)17-28(24)31/h1-18H.
What are the key properties of 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole?
5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole has a molecular weight of 410.48 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole is sourced from PubChem (CID 164740370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).