8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole

C52H32N2O — CID 167243435

IUPAC8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)oc5ccccc56)cc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-2-10-33(11-3-1)34-18-23-38(24-19-34)54-49-29-22-37(31-46(49)44-26-20-35-12-4-5-13-40(35)52(44)54)36-21-28-48-45(30-36)41-14-6-8-16-47(41)53(48)39-25-27-43-42-15-7-9-17-50(42)55-51(43)32-39/h1-32H
InChIKeySAIZSOWDSUIZOL-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole

8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole (PubChem CID 167243435) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole.

Molecular Properties

Compound Name8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
PubChem CID167243435
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)oc5ccccc56)cc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-2-10-33(11-3-1)34-18-23-38(24-19-34)54-49-29-22-37(31-46(49)44-26-20-35-12-4-5-13-40(35)52(44)54)36-21-28-48-45(30-36)41-14-6-8-16-47(41)53(48)39-25-27-43-42-15-7-9-17-50(42)55-51(43)32-39/h1-32H
InChIKeySAIZSOWDSUIZOL-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-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243823
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
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
11-dibenzofuran-4-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 167243675
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-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
8-(9-dibenzofuran-4-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243442
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976

Frequently Asked Questions

What is the IUPAC name of 8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole?
The IUPAC name of 8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole (CID 167243435) is 8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole.
What is the SMILES notation for 8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole?
The canonical SMILES for 8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)oc5ccccc56)cc4c4ccc5ccccc5c43)cc2)cc1.
What is the InChIKey of 8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole?
The InChIKey is SAIZSOWDSUIZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-10-33(11-3-1)34-18-23-38(24-19-34)54-49-29-22-37(31-46(49)44-26-20-35-12-4-5-13-40(35)52(44)54)36-21-28-48-45(30-36)41-14-6-8-16-47(41)53(48)39-25-27-43-42-15-7-9-17-50(42)55-51(43)32-39/h1-32H.
What are the key properties of 8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole?
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[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-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole is sourced from PubChem (CID 167243435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).