5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine

C30H21N5 — CID 118429547

IUPAC5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine
SMILESc1ccc(N2c3ccccc3N(c3ccc(-n4nc5ccccc5n4)cc3)c3ccccc32)cc1
InChIInChI=1S/C30H21N5/c1-2-10-22(11-3-1)33-27-14-6-8-16-29(27)34(30-17-9-7-15-28(30)33)23-18-20-24(21-19-23)35-31-25-12-4-5-13-26(25)32-35/h1-21H
InChIKeyKGTRMQGKZJUJJA-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.67
Rot. Bonds3

About 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine

5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine (PubChem CID 118429547) has the molecular formula C30H21N5 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine
PubChem CID118429547
Molecular FormulaC30H21N5
Molecular Weight451.53 g/mol
Exact Mass451.18
IUPAC Name5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine
SMILESc1ccc(N2c3ccccc3N(c3ccc(-n4nc5ccccc5n4)cc3)c3ccccc32)cc1
InChIInChI=1S/C30H21N5/c1-2-10-22(11-3-1)33-27-14-6-8-16-29(27)34(30-17-9-7-15-28(30)33)23-18-20-24(21-19-23)35-31-25-12-4-5-13-26(25)32-35/h1-21H
InChIKeyKGTRMQGKZJUJJA-UHFFFAOYSA-N
XLogP7.67
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
4-(benzotriazol-2-yl)phenol
CID 164896201
10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine
CID 118429616
10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine
CID 118429761
5-(2-benzo[e]benzotriazol-2-ylphenyl)-10-phenylphenazine
CID 118429493
ethane;10-phenylphenoxazine
CID 123756019
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
10-[2-(benzotriazol-2-yl)phenyl]phenothiazine
CID 118429483
4-(benzotriazol-2-yl)benzenesulfonamide
CID 121010064
2-[4-[6-[4-(benzotriazol-2-yl)phenoxy]hexoxy]phenyl]benzotriazole
CID 139659516

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine?
The IUPAC name of 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine (CID 118429547) is 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine is c1ccc(N2c3ccccc3N(c3ccc(-n4nc5ccccc5n4)cc3)c3ccccc32)cc1.
What is the InChIKey of 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine?
The InChIKey is KGTRMQGKZJUJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5/c1-2-10-22(11-3-1)33-27-14-6-8-16-29(27)34(30-17-9-7-15-28(30)33)23-18-20-24(21-19-23)35-31-25-12-4-5-13-26(25)32-35/h1-21H.
What are the key properties of 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine?
5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine has a molecular weight of 451.53 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine is sourced from PubChem (CID 118429547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).