9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole

C41H34N2 — CID 14093933

IUPAC9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(C(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4CC)ccc21
InChIInChI=1S/C41H34N2/c1-3-42-37-16-10-8-14-33(37)35-26-31(22-24-39(35)42)41(30-20-18-29(19-21-30)28-12-6-5-7-13-28)32-23-25-40-36(27-32)34-15-9-11-17-38(34)43(40)4-2/h5-27,41H,3-4H2,1-2H3
InChIKeyGZVFGNNZTMZJQJ-UHFFFAOYSA-N
MW554.74 g/mol
LogP10.79
Rot. Bonds6

About 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole

9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole (PubChem CID 14093933) has the molecular formula C41H34N2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
PubChem CID14093933
Molecular FormulaC41H34N2
Molecular Weight554.74 g/mol
Exact Mass554.27
IUPAC Name9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(C(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4CC)ccc21
InChIInChI=1S/C41H34N2/c1-3-42-37-16-10-8-14-33(37)35-26-31(22-24-39(35)42)41(30-20-18-29(19-21-30)28-12-6-5-7-13-28)32-23-25-40-36(27-32)34-15-9-11-17-38(34)43(40)4-2/h5-27,41H,3-4H2,1-2H3
InChIKeyGZVFGNNZTMZJQJ-UHFFFAOYSA-N
XLogP10.79
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole?
The IUPAC name of 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole (CID 14093933) is 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole is CCn1c2ccccc2c2cc(C(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4CC)ccc21.
What is the InChIKey of 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole?
The InChIKey is GZVFGNNZTMZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2/c1-3-42-37-16-10-8-14-33(37)35-26-31(22-24-39(35)42)41(30-20-18-29(19-21-30)28-12-6-5-7-13-28)32-23-25-40-36(27-32)34-15-9-11-17-38(34)43(40)4-2/h5-27,41H,3-4H2,1-2H3.
What are the key properties of 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole?
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole has a molecular weight of 554.74 g/mol, XLogP of 10.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole is sourced from PubChem (CID 14093933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).