5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole

C28H18N4 — CID 118429562

IUPAC5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole
SMILESc1ccc(-n2nc3cc(-n4c5ccccc5c5ccccc54)c4ccccc4c3n2)cc1
InChIInChI=1S/C28H18N4/c1-2-10-19(11-3-1)32-29-24-18-27(22-14-4-5-15-23(22)28(24)30-32)31-25-16-8-6-12-20(25)21-13-7-9-17-26(21)31/h1-18H
InChIKeyAHKAGMQKHSMPNF-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.67
Rot. Bonds2

About 5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole

5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole (PubChem CID 118429562) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole.

Molecular Properties

Compound Name5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole
PubChem CID118429562
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole
SMILESc1ccc(-n2nc3cc(-n4c5ccccc5c5ccccc54)c4ccccc4c3n2)cc1
InChIInChI=1S/C28H18N4/c1-2-10-19(11-3-1)32-29-24-18-27(22-14-4-5-15-23(22)28(24)30-32)31-25-16-8-6-12-20(25)21-13-7-9-17-26(21)31/h1-18H
InChIKeyAHKAGMQKHSMPNF-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

9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole
CID 164740337
2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole
CID 118429571
10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine
CID 118429616
9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole
CID 118429570
5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole
CID 164740370
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 122400298
5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole
CID 118487924
7-phenyl-5-quinoxalin-5-ylindolo[2,3-b]carbazole
CID 154952521
5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole
CID 118487922
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole?
The IUPAC name of 5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole (CID 118429562) is 5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole.
What is the SMILES notation for 5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole?
The canonical SMILES for 5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole is c1ccc(-n2nc3cc(-n4c5ccccc5c5ccccc54)c4ccccc4c3n2)cc1.
What is the InChIKey of 5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole?
The InChIKey is AHKAGMQKHSMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-2-10-19(11-3-1)32-29-24-18-27(22-14-4-5-15-23(22)28(24)30-32)31-25-16-8-6-12-20(25)21-13-7-9-17-26(21)31/h1-18H.
What are the key properties of 5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole?
5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole 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-carbazol-9-yl-2-phenylbenzo[e]benzotriazole is sourced from PubChem (CID 118429562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).