7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole

C62H41N5O — CID 171771513

IUPAC7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESC1=CCC(c2cc(-c3cnc(-c4cccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2ccccc2)C=C1
InChIInChI=1S/C62H41N5O/c1-6-19-40(20-7-1)47-34-33-44(37-52(47)41-21-8-2-9-22-41)45-38-53(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)57(63-39-45)50-30-18-32-55-56(50)51-36-35-49-48-29-16-17-31-54(48)67(58(49)59(51)68-55)46-27-14-5-15-28-46/h1-21,23-39,41H,22H2
InChIKeyXZHFCWPQZFWHAN-UHFFFAOYSA-N
MW872.04 g/mol
LogP15.86
Rot. Bonds8

About 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole

7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 171771513) has the molecular formula C62H41N5O and a molecular weight of 872.04 g/mol. Its IUPAC name is 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID171771513
Molecular FormulaC62H41N5O
Molecular Weight872.04 g/mol
Exact Mass871.33
IUPAC Name7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESC1=CCC(c2cc(-c3cnc(-c4cccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2ccccc2)C=C1
InChIInChI=1S/C62H41N5O/c1-6-19-40(20-7-1)47-34-33-44(37-52(47)41-21-8-2-9-22-41)45-38-53(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)57(63-39-45)50-30-18-32-55-56(50)51-36-35-49-48-29-16-17-31-54(48)67(58(49)59(51)68-55)46-27-14-5-15-28-46/h1-21,23-39,41H,22H2
InChIKeyXZHFCWPQZFWHAN-UHFFFAOYSA-N
XLogP15.86
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.04
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]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

1-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153459923
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153459567
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163853917
7-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 159802005
8-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 165034850
12-[3-(4-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163547856
7-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 153460156
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 168783890
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163681880
1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 157459189
8-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 153460204

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 171771513) is 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole is C1=CCC(c2cc(-c3cnc(-c4cccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2ccccc2)C=C1.
What is the InChIKey of 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is XZHFCWPQZFWHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N5O/c1-6-19-40(20-7-1)47-34-33-44(37-52(47)41-21-8-2-9-22-41)45-38-53(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)57(63-39-45)50-30-18-32-55-56(50)51-36-35-49-48-29-16-17-31-54(48)67(58(49)59(51)68-55)46-27-14-5-15-28-46/h1-21,23-39,41H,22H2.
What are the key properties of 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 872.04 g/mol, XLogP of 15.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 171771513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).