2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole

C49H28F3N5O — CID 176643309

IUPAC2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccc(-c3cc4c5ccccc5oc4c4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3ccccc3)cc1n2-c1ccccn1
InChIInChI=1S/C49H28F3N5O/c50-49(51,52)29-21-23-40-37(26-29)32-22-20-28(25-41(32)57(40)43-19-8-9-24-53-43)36-27-38-33-14-5-7-18-42(33)58-47(38)46-45(36)55-48(56(46)30-11-2-1-3-12-30)35-16-10-15-34-31-13-4-6-17-39(31)54-44(34)35/h1-27,54H
InChIKeyULAQESRNIHAGPY-UHFFFAOYSA-N
MW759.79 g/mol
LogP13.40
Rot. Bonds4

About 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole

2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole (PubChem CID 176643309) has the molecular formula C49H28F3N5O and a molecular weight of 759.79 g/mol. Its IUPAC name is 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole.

Molecular Properties

Compound Name2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole
PubChem CID176643309
Molecular FormulaC49H28F3N5O
Molecular Weight759.79 g/mol
Exact Mass759.22
IUPAC Name2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccc(-c3cc4c5ccccc5oc4c4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3ccccc3)cc1n2-c1ccccn1
InChIInChI=1S/C49H28F3N5O/c50-49(51,52)29-21-23-40-37(26-29)32-22-20-28(25-41(32)57(40)43-19-8-9-24-53-43)36-27-38-33-14-5-7-18-42(33)58-47(38)46-45(36)55-48(56(46)30-11-2-1-3-12-30)35-16-10-15-34-31-13-4-6-17-39(31)54-44(34)35/h1-27,54H
InChIKeyULAQESRNIHAGPY-UHFFFAOYSA-N
XLogP13.40
TPSA64.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.79
LogP ≤ 513.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole 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

5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257208
N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide
CID 23540389
4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 58507695
8-[4-[4-Phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 117659653
5-[5-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(2-oxopropyl)amino]-1-benzofuran-3-carboxamide
CID 124022022
14-[3-(2,6-Difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 134169367
12-[2-[4-[2-([1]Benzofuro[2,3-a]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 138712680
7-[1-[5-[1-[8-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-methylpropan-2-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpropan-2-yl]-2-pyridin-3-yl-1,3-benzoxazole
CID 139382904
3-[2,5-Bis([1]benzofuro[3,2-a]carbazol-12-yl)pyridin-4-yl]-5-(trifluoromethyl)benzonitrile
CID 146393976
3-[2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)pyridin-4-yl]-5-(trifluoromethyl)benzonitrile
CID 146393977
12-[5-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole
CID 146394099
12-[5-([1]Benzofuro[3,2-a]carbazol-12-yl)-4-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 146394111

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole?
The IUPAC name of 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole (CID 176643309) is 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole.
What is the SMILES notation for 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole?
The canonical SMILES for 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole is FC(F)(F)c1ccc2c(c1)c1ccc(-c3cc4c5ccccc5oc4c4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3ccccc3)cc1n2-c1ccccn1.
What is the InChIKey of 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole?
The InChIKey is ULAQESRNIHAGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28F3N5O/c50-49(51,52)29-21-23-40-37(26-29)32-22-20-28(25-41(32)57(40)43-19-8-9-24-53-43)36-27-38-33-14-5-7-18-42(33)58-47(38)46-45(36)55-48(56(46)30-11-2-1-3-12-30)35-16-10-15-34-31-13-4-6-17-39(31)54-44(34)35/h1-27,54H.
What are the key properties of 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole?
2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole has a molecular weight of 759.79 g/mol, XLogP of 13.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-1-yl)-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)carbazol-2-yl]-[1]benzofuro[2,3-e]benzimidazole is sourced from PubChem (CID 176643309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).