3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole

C52H32N2O — CID 118534493

IUPAC3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc6oc7ccccc7c6c5)cc5ccccc45)ccc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-13-38(14-3-1)53-46-19-9-6-16-40(46)43-29-33(22-25-48(43)53)34-23-26-49-44(30-34)41-17-7-10-20-47(41)54(49)50-32-37(28-36-12-4-5-15-39(36)50)35-24-27-52-45(31-35)42-18-8-11-21-51(42)55-52/h1-32H
InChIKeyWTLYUSJHGUIHLT-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118534493) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID118534493
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc6oc7ccccc7c6c5)cc5ccccc45)ccc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-13-38(14-3-1)53-46-19-9-6-16-40(46)43-29-33(22-25-48(43)53)34-23-26-49-44(30-34)41-17-7-10-20-47(41)54(49)50-32-37(28-36-12-4-5-15-39(36)50)35-24-27-52-45(31-35)42-18-8-11-21-51(42)55-52/h1-32H
InChIKeyWTLYUSJHGUIHLT-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-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-[9-(3-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753308
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;bis(9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole)
CID 161012876
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole (CID 118534493) is 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc6oc7ccccc7c6c5)cc5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is WTLYUSJHGUIHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-13-38(14-3-1)53-46-19-9-6-16-40(46)43-29-33(22-25-48(43)53)34-23-26-49-44(30-34)41-17-7-10-20-47(41)54(49)50-32-37(28-36-12-4-5-15-39(36)50)35-24-27-52-45(31-35)42-18-8-11-21-51(42)55-52/h1-32H.
What are the key properties of 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole 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 3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118534493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).