2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole

C52H32N2O — CID 167244013

IUPAC2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)cc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-2-11-33(12-3-1)34-21-25-39(26-22-34)53-46-27-23-38(31-43(46)44-29-35-13-4-5-14-36(35)32-49(44)53)37-24-28-47-42(30-37)40-15-6-8-17-45(40)54(47)48-18-10-20-51-52(48)41-16-7-9-19-50(41)55-51/h1-32H
InChIKeySBEPXOXXDGYLPS-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole

2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole (PubChem CID 167244013) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
PubChem CID167244013
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)cc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-2-11-33(12-3-1)34-21-25-39(26-22-34)53-46-27-23-38(31-43(46)44-29-35-13-4-5-14-36(35)32-49(44)53)37-24-28-47-42(30-37)40-15-6-8-17-45(40)54(47)48-18-10-20-51-52(48)41-16-7-9-19-50(41)55-51/h1-32H
InChIKeySBEPXOXXDGYLPS-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

2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
5-[3-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348095
9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700089
5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole
CID 167243403
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-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
CID 90291738
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole?
The IUPAC name of 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole (CID 167244013) is 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole.
What is the SMILES notation for 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole?
The canonical SMILES for 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)cc4c4cc5ccccc5cc43)cc2)cc1.
What is the InChIKey of 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole?
The InChIKey is SBEPXOXXDGYLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-11-33(12-3-1)34-21-25-39(26-22-34)53-46-27-23-38(31-43(46)44-29-35-13-4-5-14-36(35)32-49(44)53)37-24-28-47-42(30-37)40-15-6-8-17-45(40)54(47)48-18-10-20-51-52(48)41-16-7-9-19-50(41)55-51/h1-32H.
What are the key properties of 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole?
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)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 2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole is sourced from PubChem (CID 167244013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).