1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine

C59H38N2O — CID 167403722

IUPAC1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc4oc5ccccc5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C59H38N2O/c1-6-18-39(19-7-1)44-30-32-53-50(34-44)51-35-45(40-20-8-2-9-21-40)31-33-54(51)61(53)59-48(41-22-10-3-11-23-41)36-46(37-49(59)42-24-12-4-13-25-42)58-57-47-28-16-17-29-55(47)62-56(57)38-52(60-58)43-26-14-5-15-27-43/h1-38H
InChIKeyHNTSQWXWCKJJGN-UHFFFAOYSA-N
MW790.97 g/mol
LogP16.08
Rot. Bonds7

About 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine

1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine (PubChem CID 167403722) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine
PubChem CID167403722
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc4oc5ccccc5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C59H38N2O/c1-6-18-39(19-7-1)44-30-32-53-50(34-44)51-35-45(40-20-8-2-9-21-40)31-33-54(51)61(53)59-48(41-22-10-3-11-23-41)36-46(37-49(59)42-24-12-4-13-25-42)58-57-47-28-16-17-29-55(47)62-56(57)38-52(60-58)43-26-14-5-15-27-43/h1-38H
InChIKeyHNTSQWXWCKJJGN-UHFFFAOYSA-N
XLogP16.08
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
9-(2-dibenzofuran-1-yl-6-phenylphenyl)-3,6-bis(2-phenylphenyl)carbazole
CID 166010974
9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole
CID 130327501
9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole
CID 153300123
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280367
9-[2-(4-tert-butylphenyl)-6-phenyl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,6-diphenylcarbazole
CID 146281192
9-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280771
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522
3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 158968251
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 164948626
2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280524

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine (CID 167403722) is 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc4oc5ccccc5c34)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is HNTSQWXWCKJJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-6-18-39(19-7-1)44-30-32-53-50(34-44)51-35-45(40-20-8-2-9-21-40)31-33-54(51)61(53)59-48(41-22-10-3-11-23-41)36-46(37-49(59)42-24-12-4-13-25-42)58-57-47-28-16-17-29-55(47)62-56(57)38-52(60-58)43-26-14-5-15-27-43/h1-38H.
What are the key properties of 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine?
1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 790.97 g/mol, XLogP of 16.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 167403722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).