9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole

C26H21N5 — CID 51049466

IUPAC9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C26H21N5/c1-2-10-23(26-27-29-30-28-26)20(7-1)19-15-13-18(14-16-19)17-31-24-11-5-3-8-21(24)22-9-4-6-12-25(22)31/h1-3,5-8,10-16H,4,9,17H2,(H,27,28,29,30)
InChIKeyAPVHAFGOLDTMQH-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.50
Rot. Bonds4

About 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole

9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole (PubChem CID 51049466) has the molecular formula C26H21N5 and a molecular weight of 403.49 g/mol. Its IUPAC name is 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole
PubChem CID51049466
Molecular FormulaC26H21N5
Molecular Weight403.49 g/mol
Exact Mass403.18
IUPAC Name9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C26H21N5/c1-2-10-23(26-27-29-30-28-26)20(7-1)19-15-13-18(14-16-19)17-31-24-11-5-3-8-21(24)22-9-4-6-12-25(22)31/h1-3,5-8,10-16H,4,9,17H2,(H,27,28,29,30)
InChIKeyAPVHAFGOLDTMQH-UHFFFAOYSA-N
XLogP5.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one
CID 54726671
9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457088
9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457084
1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine
CID 154446110
1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one
CID 139691089
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile
CID 57457097
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
CID 91473451
9-prop-2-enyl-3,4-dihydrocarbazole
CID 163625647
3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole
CID 10835002
1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine
CID 67815987

Frequently Asked Questions

What is the IUPAC name of 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole (CID 51049466) is 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole is C1=Cc2c(c3ccccc3n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole?
The InChIKey is APVHAFGOLDTMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5/c1-2-10-23(26-27-29-30-28-26)20(7-1)19-15-13-18(14-16-19)17-31-24-11-5-3-8-21(24)22-9-4-6-12-25(22)31/h1-3,5-8,10-16H,4,9,17H2,(H,27,28,29,30).
What are the key properties of 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole?
9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole has a molecular weight of 403.49 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole is sourced from PubChem (CID 51049466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).