9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole

C49H35N3O — CID 58695309

IUPAC9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole
SMILESc1ccc(-c2ccc(COCc3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)nc1
InChIInChI=1S/C49H35N3O/c1-4-13-46-41(9-1)42-10-2-5-14-47(42)51(46)39-25-21-36(22-26-39)37-23-27-40(28-24-37)52-48-15-6-3-11-43(48)44-31-35(18-29-49(44)52)33-53-32-34-16-19-38(20-17-34)45-12-7-8-30-50-45/h1-31H,32-33H2
InChIKeyGMJXDFPJNLJVMO-UHFFFAOYSA-N
MW681.84 g/mol
LogP12.33
Rot. Bonds8

About 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole

9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole (PubChem CID 58695309) has the molecular formula C49H35N3O and a molecular weight of 681.84 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole
PubChem CID58695309
Molecular FormulaC49H35N3O
Molecular Weight681.84 g/mol
Exact Mass681.28
IUPAC Name9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole
SMILESc1ccc(-c2ccc(COCc3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)nc1
InChIInChI=1S/C49H35N3O/c1-4-13-46-41(9-1)42-10-2-5-14-47(42)51(46)39-25-21-36(22-26-39)37-23-27-40(28-24-37)52-48-15-6-3-11-43(48)44-31-35(18-29-49(44)52)33-53-32-34-16-19-38(20-17-34)45-12-7-8-30-50-45/h1-31H,32-33H2
InChIKeyGMJXDFPJNLJVMO-UHFFFAOYSA-N
XLogP12.33
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole 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

Siramesine
CID 9829526
1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
1'-[4-(1-pyridin-4-ylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 9980526
4-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10073546
5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322581
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 10050311
7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10005023
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-5-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10051533
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-6-methylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322400
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[1,4-dihydroisochromene-3,4'-piperidine]
CID 10322401
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-5-(trifluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10346661

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole?
The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole (CID 58695309) is 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole.
What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole?
The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole is c1ccc(-c2ccc(COCc3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)nc1.
What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole?
The InChIKey is GMJXDFPJNLJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3O/c1-4-13-46-41(9-1)42-10-2-5-14-47(42)51(46)39-25-21-36(22-26-39)37-23-27-40(28-24-37)52-48-15-6-3-11-43(48)44-31-35(18-29-49(44)52)33-53-32-34-16-19-38(20-17-34)45-12-7-8-30-50-45/h1-31H,32-33H2.
What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole?
9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole has a molecular weight of 681.84 g/mol, XLogP of 12.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[(4-pyridin-2-ylphenyl)methoxymethyl]carbazole is sourced from PubChem (CID 58695309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).