8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole

C52H32N2O — CID 167243823

IUPAC8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)cc1
InChIInChI=1S/C52H32N2O/c1-3-11-33(12-4-1)37-20-24-41-45-29-35(21-27-47(45)53(49(41)31-37)39-23-26-43-42-17-9-10-18-50(42)55-51(43)32-39)36-22-28-48-46(30-36)44-25-19-34-13-7-8-16-40(34)52(44)54(48)38-14-5-2-6-15-38/h1-32H
InChIKeySPLUKIPANRSVDN-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole

8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole (PubChem CID 167243823) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
PubChem CID167243823
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)cc1
InChIInChI=1S/C52H32N2O/c1-3-11-33(12-4-1)37-20-24-41-45-29-35(21-27-47(45)53(49(41)31-37)39-23-26-43-42-17-9-10-18-50(42)55-51(43)32-39)36-22-28-48-46(30-36)44-25-19-34-13-7-8-16-40(34)52(44)54(48)38-14-5-2-6-15-38/h1-32H
InChIKeySPLUKIPANRSVDN-UHFFFAOYSA-N
XLogP14.27
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole
CID 167243403
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161318809
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168781725
7-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole;2-(9-phenylcarbazol-3-yl)-5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 158696933
12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,7-diphenylcarbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3,6-diphenylcarbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-phenylcarbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 158313830
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399

Frequently Asked Questions

What is the IUPAC name of 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
The IUPAC name of 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole (CID 167243823) is 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
The canonical SMILES for 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole is c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)cc1.
What is the InChIKey of 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
The InChIKey is SPLUKIPANRSVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-3-11-33(12-4-1)37-20-24-41-45-29-35(21-27-47(45)53(49(41)31-37)39-23-26-43-42-17-9-10-18-50(42)55-51(43)32-39)36-22-28-48-46(30-36)44-25-19-34-13-7-8-16-40(34)52(44)54(48)38-14-5-2-6-15-38/h1-32H.
What are the key properties of 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole has a molecular weight of 700.84 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 167243823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).