5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole

C52H32N2O — CID 167243403

IUPAC5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc5c(c4)oc4ccccc45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C52H32N2O/c1-3-11-33(12-4-1)36-19-24-47-43(28-36)44-29-37(20-25-48(44)53(47)39-15-5-2-6-16-39)38-21-26-49-45(30-38)46-27-34-13-7-8-14-35(34)31-50(46)54(49)40-22-23-42-41-17-9-10-18-51(41)55-52(42)32-40/h1-32H
InChIKeyZZIAVJMHHBMGMD-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole

5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole (PubChem CID 167243403) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole
PubChem CID167243403
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc5c(c4)oc4ccccc45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C52H32N2O/c1-3-11-33(12-4-1)36-19-24-47-43(28-36)44-29-37(20-25-48(44)53(47)39-15-5-2-6-16-39)38-21-26-49-45(30-38)46-27-34-13-7-8-14-35(34)31-50(46)54(49)40-22-23-42-41-17-9-10-18-51(41)55-52(42)32-40/h1-32H
InChIKeyZZIAVJMHHBMGMD-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

3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243823
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
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
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
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
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
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole?
The IUPAC name of 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole (CID 167243403) is 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole?
The canonical SMILES for 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc5c(c4)oc4ccccc45)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole?
The InChIKey is ZZIAVJMHHBMGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-3-11-33(12-4-1)36-19-24-47-43(28-36)44-29-37(20-25-48(44)53(47)39-15-5-2-6-16-39)38-21-26-49-45(30-38)46-27-34-13-7-8-14-35(34)31-50(46)54(49)40-22-23-42-41-17-9-10-18-51(41)55-52(42)32-40/h1-32H.
What are the key properties of 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole?
5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]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 5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole is sourced from PubChem (CID 167243403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).