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

C54H40N2 — CID 146757100

IUPAC9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)-c3ccc(-c4ccc6c7ccccc7n(-c7ccccc7)c6c4)cc3C53CCCCC3)c2)cc1
InChIInChI=1S/C54H40N2/c1-4-15-36(16-5-1)37-17-14-20-41(31-37)56-51-24-11-9-22-44(51)47-34-49-46(35-53(47)56)42-27-25-38(32-48(42)54(49)29-12-3-13-30-54)39-26-28-45-43-21-8-10-23-50(43)55(52(45)33-39)40-18-6-2-7-19-40/h1-2,4-11,14-28,31-35H,3,12-13,29-30H2
InChIKeyROPKUHOJVIPXKL-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.45
Rot. Bonds4

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

9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (PubChem CID 146757100) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].

Molecular Properties

Compound Name9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
PubChem CID146757100
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC Name9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)-c3ccc(-c4ccc6c7ccccc7n(-c7ccccc7)c6c4)cc3C53CCCCC3)c2)cc1
InChIInChI=1S/C54H40N2/c1-4-15-36(16-5-1)37-17-14-20-41(31-37)56-51-24-11-9-22-44(51)47-34-49-46(35-53(47)56)42-27-25-38(32-48(42)54(49)29-12-3-13-30-54)39-26-28-45-43-21-8-10-23-50(43)55(52(45)33-39)40-18-6-2-7-19-40/h1-2,4-11,14-28,31-35H,3,12-13,29-30H2
InChIKeyROPKUHOJVIPXKL-UHFFFAOYSA-N
XLogP14.45
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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'-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)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947376
5'-dibenzothiophen-3-yl-9'-(9-dibenzothiophen-2-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 147500737
2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)-9-(4-phenylphenyl)carbazole
CID 154947405
5'-phenyl-2'-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947532
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
2-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]carbazole;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazole;9-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]carbazole;9-[4-(7'-naphthalen-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)phenyl]carbazole;9-[4-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]carbazole;9-[4-(7'-phenylspiro[cyclohexane-1,9'-fluorene]-2'-yl)phenyl]carbazole;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole;9-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazole
CID 157239426
5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 153095210
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336

Frequently Asked Questions

What is the IUPAC name of 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The IUPAC name of 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (CID 146757100) is 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].
What is the SMILES notation for 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The canonical SMILES for 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)-c3ccc(-c4ccc6c7ccccc7n(-c7ccccc7)c6c4)cc3C53CCCCC3)c2)cc1.
What is the InChIKey of 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The InChIKey is ROPKUHOJVIPXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-4-15-36(16-5-1)37-17-14-20-41(31-37)56-51-24-11-9-22-44(51)47-34-49-46(35-53(47)56)42-27-25-38(32-48(42)54(49)29-12-3-13-30-54)39-26-28-45-43-21-8-10-23-50(43)55(52(45)33-39)40-18-6-2-7-19-40/h1-2,4-11,14-28,31-35H,3,12-13,29-30H2.
What are the key properties of 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] has a molecular weight of 716.93 g/mol, XLogP of 14.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 146757100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).