6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine

C43H26N2O — CID 121337166

IUPAC6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7nc8ccccc8c8ccccc78)cc6c5c4)ccc32)cc1
InChIInChI=1S/C43H26N2O/c1-2-10-30(11-3-1)45-39-17-9-7-14-33(39)35-24-27(18-21-40(35)45)28-19-22-41-36(25-28)37-26-29(20-23-42(37)46-41)43-34-15-5-4-12-31(34)32-13-6-8-16-38(32)44-43/h1-26H
InChIKeySBCBZAIBJQUBHS-UHFFFAOYSA-N
MW586.69 g/mol
LogP11.72
Rot. Bonds3

About 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine

6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine (PubChem CID 121337166) has the molecular formula C43H26N2O and a molecular weight of 586.69 g/mol. Its IUPAC name is 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine.

Molecular Properties

Compound Name6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine
PubChem CID121337166
Molecular FormulaC43H26N2O
Molecular Weight586.69 g/mol
Exact Mass586.20
IUPAC Name6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7nc8ccccc8c8ccccc78)cc6c5c4)ccc32)cc1
InChIInChI=1S/C43H26N2O/c1-2-10-30(11-3-1)45-39-17-9-7-14-33(39)35-24-27(18-21-40(35)45)28-19-22-41-36(25-28)37-26-29(20-23-42(37)46-41)43-34-15-5-4-12-31(34)32-13-6-8-16-38(32)44-43/h1-26H
InChIKeySBCBZAIBJQUBHS-UHFFFAOYSA-N
XLogP11.72
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine
CID 159402466
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535

Frequently Asked Questions

What is the IUPAC name of 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine?
The IUPAC name of 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine (CID 121337166) is 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine.
What is the SMILES notation for 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine?
The canonical SMILES for 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7nc8ccccc8c8ccccc78)cc6c5c4)ccc32)cc1.
What is the InChIKey of 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine?
The InChIKey is SBCBZAIBJQUBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O/c1-2-10-30(11-3-1)45-39-17-9-7-14-33(39)35-24-27(18-21-40(35)45)28-19-22-41-36(25-28)37-26-29(20-23-42(37)46-41)43-34-15-5-4-12-31(34)32-13-6-8-16-38(32)44-43/h1-26H.
What are the key properties of 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine?
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine has a molecular weight of 586.69 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine is sourced from PubChem (CID 121337166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).