9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole

C28H18N4 — CID 118429570

IUPAC9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole
SMILESc1ccc2nn(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)nc2c1
InChIInChI=1S/C28H18N4/c1-2-12-22-21(9-1)27(17-18-28(22)32-29-23-13-5-6-14-24(23)30-32)31-25-15-7-3-10-19(25)20-11-4-8-16-26(20)31/h1-18H
InChIKeyGQUNLZUQDUPISS-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.67
Rot. Bonds2

About 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole

9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole (PubChem CID 118429570) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole
PubChem CID118429570
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole
SMILESc1ccc2nn(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)nc2c1
InChIInChI=1S/C28H18N4/c1-2-12-22-21(9-1)27(17-18-28(22)32-29-23-13-5-6-14-24(23)30-32)31-25-15-7-3-10-19(25)20-11-4-8-16-26(20)31/h1-18H
InChIKeyGQUNLZUQDUPISS-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-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole
CID 118429571
5-carbazol-9-yl-2-phenylbenzo[e]benzotriazole
CID 118429562
4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine
CID 71038421
9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 122400298
9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole
CID 164740337
2-(4-butoxynaphthalen-1-yl)benzotriazole
CID 59307512
5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole
CID 158346747
9-[4,7-di(carbazol-9-yl)benzo[a]anthracen-12-yl]carbazole
CID 59412616
6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795483
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole
CID 169060972

Frequently Asked Questions

What is the IUPAC name of 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole?
The IUPAC name of 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole (CID 118429570) is 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole?
The canonical SMILES for 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole is c1ccc2nn(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)nc2c1.
What is the InChIKey of 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole?
The InChIKey is GQUNLZUQDUPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-2-12-22-21(9-1)27(17-18-28(22)32-29-23-13-5-6-14-24(23)30-32)31-25-15-7-3-10-19(25)20-11-4-8-16-26(20)31/h1-18H.
What are the key properties of 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole?
9-[4-(benzotriazol-2-yl)naphthalen-1-yl]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 9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole is sourced from PubChem (CID 118429570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).