6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole

C40H25NO — CID 166872684

IUPAC6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3oc3c4c4ccccc4n3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C40H25NO/c1-3-14-26(15-4-1)36-28-18-7-9-20-30(28)37(31-21-10-8-19-29(31)36)33-23-13-24-34-38-32-22-11-12-25-35(32)41(40(38)42-39(33)34)27-16-5-2-6-17-27/h1-25H
InChIKeyQGSDMKYFNXAGET-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.17
Rot. Bonds3

About 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole

6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole (PubChem CID 166872684) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole
PubChem CID166872684
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC Name6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3oc3c4c4ccccc4n3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C40H25NO/c1-3-14-26(15-4-1)36-28-18-7-9-20-30(28)37(31-21-10-8-19-29(31)36)33-23-13-24-34-38-32-22-11-12-25-35(32)41(40(38)42-39(33)34)27-16-5-2-6-17-27/h1-25H
InChIKeyQGSDMKYFNXAGET-UHFFFAOYSA-N
XLogP11.17
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168635
4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744678
4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168948
4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169034
4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168878
9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole
CID 166689908
9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906088
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;6-phenyl-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167657719
9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole
CID 176744049
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
4-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;9-phenyl-4-[2-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-phenyl-4-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 165044312
1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168642

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole?
The IUPAC name of 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole (CID 166872684) is 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole is c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3c4c4ccccc4n3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole?
The InChIKey is QGSDMKYFNXAGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-3-14-26(15-4-1)36-28-18-7-9-20-30(28)37(31-21-10-8-19-29(31)36)33-23-13-24-34-38-32-22-11-12-25-35(32)41(40(38)42-39(33)34)27-16-5-2-6-17-27/h1-25H.
What are the key properties of 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole?
6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole has a molecular weight of 535.65 g/mol, XLogP of 11.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 166872684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).