3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole

C66H40N2O — CID 163907956

IUPAC3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C66H40N2O/c1-2-14-46(15-3-1)67-60-23-11-8-20-53(60)58-37-44(31-34-62(58)67)45-32-35-63-59(38-45)54-21-9-12-24-61(54)68(63)47-39-56(66-55-22-10-13-25-64(55)69-65(66)40-47)42-28-26-41(27-29-42)43-30-33-52-50-18-5-4-16-48(50)49-17-6-7-19-51(49)57(52)36-43/h1-40H
InChIKeyQPPYVTUVNMWRLZ-UHFFFAOYSA-N
MW877.06 g/mol
LogP18.24
Rot. Bonds5

About 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole (PubChem CID 163907956) has the molecular formula C66H40N2O and a molecular weight of 877.06 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole
PubChem CID163907956
Molecular FormulaC66H40N2O
Molecular Weight877.06 g/mol
Exact Mass876.31
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C66H40N2O/c1-2-14-46(15-3-1)67-60-23-11-8-20-53(60)58-37-44(31-34-62(58)67)45-32-35-63-59(38-45)54-21-9-12-24-61(54)68(63)47-39-56(66-55-22-10-13-25-64(55)69-65(66)40-47)42-28-26-41(27-29-42)43-30-33-52-50-18-5-4-16-48(50)49-17-6-7-19-51(49)57(52)36-43/h1-40H
InChIKeyQPPYVTUVNMWRLZ-UHFFFAOYSA-N
XLogP18.24
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.06
LogP ≤ 518.24
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-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 158968251
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718
28-(4-carbazol-9-ylphenyl)-24-phenyl-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130294395
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 166496032
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole (CID 163907956) is 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c5c(c4)oc4ccccc45)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole?
The InChIKey is QPPYVTUVNMWRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O/c1-2-14-46(15-3-1)67-60-23-11-8-20-53(60)58-37-44(31-34-62(58)67)45-32-35-63-59(38-45)54-21-9-12-24-61(54)68(63)47-39-56(66-55-22-10-13-25-64(55)69-65(66)40-47)42-28-26-41(27-29-42)43-30-33-52-50-18-5-4-16-48(50)49-17-6-7-19-51(49)57(52)36-43/h1-40H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole has a molecular weight of 877.06 g/mol, XLogP of 18.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 163907956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).