2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole

C38H25NO — CID 156553394

IUPAC2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2-c2oc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H25NO/c1-4-14-26(15-5-1)29-24-25-31-30-20-12-13-23-34(30)39(28-18-8-3-9-19-28)36(31)35(29)38-33-22-11-10-21-32(33)37(40-38)27-16-6-2-7-17-27/h1-25H
InChIKeyTUMSYXJYVRAJKI-UHFFFAOYSA-N
MW511.62 g/mol
LogP10.53
Rot. Bonds4

About 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole

2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole (PubChem CID 156553394) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole.

Molecular Properties

Compound Name2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole
PubChem CID156553394
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC Name2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2-c2oc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H25NO/c1-4-14-26(15-5-1)29-24-25-31-30-20-12-13-23-34(30)39(28-18-8-3-9-19-28)36(31)35(29)38-33-22-11-10-21-32(33)37(40-38)27-16-6-2-7-17-27/h1-25H
InChIKeyTUMSYXJYVRAJKI-UHFFFAOYSA-N
XLogP10.53
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 171438087
9-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]carbazole
CID 156552970
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole
CID 163503973
1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
CID 90321464
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
2-bromo-1,9-diphenylcarbazole
CID 174724226
2,9-diphenyl-1-[3-(3-phenylphenyl)-2-benzofuran-1-yl]carbazole;1-(3-phenyldibenzothiophen-4-yl)-3-(3-phenylphenyl)-2-benzofuran;9-phenyl-4-[3-(3-phenylphenyl)-2-benzofuran-1-yl]carbazole;3-phenyl-4-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 159250060
6-bromo-1,2,9-triphenylcarbazole
CID 142745273
9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]phenyl]carbazole
CID 156553374
9-phenyl-4-[3-(4-phenylphenyl)-2-benzofuran-1-yl]carbazole
CID 156552674

Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole?
The IUPAC name of 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole (CID 156553394) is 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole.
What is the SMILES notation for 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole?
The canonical SMILES for 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2-c2oc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole?
The InChIKey is TUMSYXJYVRAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-4-14-26(15-5-1)29-24-25-31-30-20-12-13-23-34(30)39(28-18-8-3-9-19-28)36(31)35(29)38-33-22-11-10-21-32(33)37(40-38)27-16-6-2-7-17-27/h1-25H.
What are the key properties of 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole?
2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole has a molecular weight of 511.62 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole is sourced from PubChem (CID 156553394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).