4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole

C46H28N2O — CID 165169034

IUPAC4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6c(ccc7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)c4oc32)cc1
InChIInChI=1S/C46H28N2O/c1-2-11-32(12-3-1)48-43-20-9-6-15-39(43)44-40-17-10-16-36(45(40)49-46(44)48)30-23-25-34-29(27-30)21-22-31-28-33(24-26-35(31)34)47-41-18-7-4-13-37(41)38-14-5-8-19-42(38)47/h1-28H
InChIKeyDUEVVFOZSNZBIM-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.60
Rot. Bonds3

About 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole

4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165169034) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165169034
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6c(ccc7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)c4oc32)cc1
InChIInChI=1S/C46H28N2O/c1-2-11-32(12-3-1)48-43-20-9-6-15-39(43)44-40-17-10-16-36(45(40)49-46(44)48)30-23-25-34-29(27-30)21-22-31-28-33(24-26-35(31)34)47-41-18-7-4-13-37(41)38-14-5-8-19-42(38)47/h1-28H
InChIKeyDUEVVFOZSNZBIM-UHFFFAOYSA-N
XLogP12.60
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole 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

4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168948
4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168635
4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168878
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
3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161417407
2-[9-(6-dibenzofuran-1-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753215
6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole
CID 166872684
3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169014
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
3,6-bis(6-phenanthren-2-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-bis(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-3-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(6-phenanthren-9-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 158130839
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 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165169034) is 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6c(ccc7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)c4oc32)cc1.
What is the InChIKey of 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is DUEVVFOZSNZBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-11-32(12-3-1)48-43-20-9-6-15-39(43)44-40-17-10-16-36(45(40)49-46(44)48)30-23-25-34-29(27-30)21-22-31-28-33(24-26-35(31)34)47-41-18-7-4-13-37(41)38-14-5-8-19-42(38)47/h1-28H.
What are the key properties of 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 624.74 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165169034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).