3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

C60H42N2O — CID 154947376

IUPAC3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2ccc(-n3c4cc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)ccc4c4cc5c(cc43)-c3ccccc3C53CCCCC3)cc2)cc1
InChIInChI=1S/C60H42N2O/c1-3-13-38(14-4-1)39-21-25-42(26-22-39)61-56-34-41(24-29-47(56)51-36-53-50(37-57(51)61)44-15-5-8-18-52(44)60(53)31-11-2-12-32-60)40-23-28-46-45-16-6-9-19-54(45)62(55(46)33-40)43-27-30-49-48-17-7-10-20-58(48)63-59(49)35-43/h1,3-10,13-30,33-37H,2,11-12,31-32H2
InChIKeyZZTHJQSLOSICQF-UHFFFAOYSA-N
MW807.01 g/mol
LogP16.34
Rot. Bonds4

About 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (PubChem CID 154947376) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].

Molecular Properties

Compound Name3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
PubChem CID154947376
Molecular FormulaC60H42N2O
Molecular Weight807.01 g/mol
Exact Mass806.33
IUPAC Name3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2ccc(-n3c4cc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)ccc4c4cc5c(cc43)-c3ccccc3C53CCCCC3)cc2)cc1
InChIInChI=1S/C60H42N2O/c1-3-13-38(14-4-1)39-21-25-42(26-22-39)61-56-34-41(24-29-47(56)51-36-53-50(37-57(51)61)44-15-5-8-18-52(44)60(53)31-11-2-12-32-60)40-23-28-46-45-16-6-9-19-54(45)62(55(46)33-40)43-27-30-49-48-17-7-10-20-58(48)63-59(49)35-43/h1,3-10,13-30,33-37H,2,11-12,31-32H2
InChIKeyZZTHJQSLOSICQF-UHFFFAOYSA-N
XLogP16.34
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 153095210
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
5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947464
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'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 146757100
2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)-9-(4-phenylphenyl)carbazole
CID 154947405
5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149034875
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
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
5-dibenzofuran-3-yl-7-[4-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847658

Frequently Asked Questions

What is the IUPAC name of 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The IUPAC name of 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (CID 154947376) is 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].
What is the SMILES notation for 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The canonical SMILES for 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is c1ccc(-c2ccc(-n3c4cc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)ccc4c4cc5c(cc43)-c3ccccc3C53CCCCC3)cc2)cc1.
What is the InChIKey of 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The InChIKey is ZZTHJQSLOSICQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-3-13-38(14-4-1)39-21-25-42(26-22-39)61-56-34-41(24-29-47(56)51-36-53-50(37-57(51)61)44-15-5-8-18-52(44)60(53)31-11-2-12-32-60)40-23-28-46-45-16-6-9-19-54(45)62(55(46)33-40)43-27-30-49-48-17-7-10-20-58(48)63-59(49)35-43/h1,3-10,13-30,33-37H,2,11-12,31-32H2.
What are the key properties of 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] has a molecular weight of 807.01 g/mol, XLogP of 16.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 154947376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).