5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

C60H40N2O2 — CID 153095210

IUPAC5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)-c5cc7c(cc5C65CCCCC5)c5ccccc5n7-c5ccc6c(c5)oc5ccccc56)cc43)ccc12
InChIInChI=1S/C60H40N2O2/c1-10-28-60(29-11-1)50-27-21-36(37-20-24-42-40-12-2-6-16-52(40)61(54(42)31-37)38-22-25-45-43-14-4-8-18-56(43)63-58(45)32-38)30-47(50)48-35-55-49(34-51(48)60)41-13-3-7-17-53(41)62(55)39-23-26-46-44-15-5-9-19-57(44)64-59(46)33-39/h2-9,12-27,30-35H,1,10-11,28-29H2
InChIKeyVPYQCDNDKCJKGQ-UHFFFAOYSA-N
MW820.99 g/mol
LogP16.58
Rot. Bonds3

About 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (PubChem CID 153095210) has the molecular formula C60H40N2O2 and a molecular weight of 820.99 g/mol. Its IUPAC name is 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].

Molecular Properties

Compound Name5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
PubChem CID153095210
Molecular FormulaC60H40N2O2
Molecular Weight820.99 g/mol
Exact Mass820.31
IUPAC Name5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)-c5cc7c(cc5C65CCCCC5)c5ccccc5n7-c5ccc6c(c5)oc5ccccc56)cc43)ccc12
InChIInChI=1S/C60H40N2O2/c1-10-28-60(29-11-1)50-27-21-36(37-20-24-42-40-12-2-6-16-52(40)61(54(42)31-37)38-22-25-45-43-14-4-8-18-56(43)63-58(45)32-38)30-47(50)48-35-55-49(34-51(48)60)41-13-3-7-17-53(41)62(55)39-23-26-46-44-15-5-9-19-57(44)64-59(46)33-39/h2-9,12-27,30-35H,1,10-11,28-29H2
InChIKeyVPYQCDNDKCJKGQ-UHFFFAOYSA-N
XLogP16.58
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.99
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947376
5'-dibenzofuran-3-yl-9'-[9-(4-phenylphenyl)carbazol-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 153035904
5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149034875
5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149154937
9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 146757100
5'-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
CID 169014969
9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole
CID 154947388
2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)-9-(4-phenylphenyl)carbazole
CID 154947405
5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947464
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
5'-[3-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
CID 169014161
5'-dibenzothiophen-3-yl-9'-(9-dibenzothiophen-2-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 147500737

Frequently Asked Questions

What is the IUPAC name of 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The IUPAC name of 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (CID 153095210) is 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].
What is the SMILES notation for 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The canonical SMILES for 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is c1ccc2c(c1)oc1cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)-c5cc7c(cc5C65CCCCC5)c5ccccc5n7-c5ccc6c(c5)oc5ccccc56)cc43)ccc12.
What is the InChIKey of 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The InChIKey is VPYQCDNDKCJKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2/c1-10-28-60(29-11-1)50-27-21-36(37-20-24-42-40-12-2-6-16-52(40)61(54(42)31-37)38-22-25-45-43-14-4-8-18-56(43)63-58(45)32-38)30-47(50)48-35-55-49(34-51(48)60)41-13-3-7-17-53(41)62(55)39-23-26-46-44-15-5-9-19-57(44)64-59(46)33-39/h2-9,12-27,30-35H,1,10-11,28-29H2.
What are the key properties of 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] has a molecular weight of 820.99 g/mol, XLogP of 16.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 153095210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).