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

C54H40N2 — CID 154947464

IUPAC5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)-c5ccccc5C75CCCCC5)ccc43)cc2)cc1
InChIInChI=1S/C54H40N2/c1-4-14-36(15-5-1)37-22-26-41(27-23-37)55-50-21-11-9-19-43(50)45-32-38(24-28-51(45)55)39-25-29-52-46(33-39)47-34-49-44(35-53(47)56(52)40-16-6-2-7-17-40)42-18-8-10-20-48(42)54(49)30-12-3-13-31-54/h1-2,4-11,14-29,32-35H,3,12-13,30-31H2
InChIKeyYAQVBXPDGIGZKK-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.45
Rot. Bonds4

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

5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (PubChem CID 154947464) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].

Molecular Properties

Compound Name5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
PubChem CID154947464
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC Name5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)-c5ccccc5C75CCCCC5)ccc43)cc2)cc1
InChIInChI=1S/C54H40N2/c1-4-14-36(15-5-1)37-22-26-41(27-23-37)55-50-21-11-9-19-43(50)45-32-38(24-28-51(45)55)39-25-29-52-46(33-39)47-34-49-44(35-53(47)56(52)40-16-6-2-7-17-40)42-18-8-10-20-48(42)54(49)30-12-3-13-31-54/h1-2,4-11,14-29,32-35H,3,12-13,30-31H2
InChIKeyYAQVBXPDGIGZKK-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

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Related Compounds

9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 146757100
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'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947376
2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)-9-(4-phenylphenyl)carbazole
CID 154947405
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-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149154937
3'-chloro-5'-phenylspiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 150536870
5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149422626
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
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
CID 89375238
CID 89375238
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871

Frequently Asked Questions

What is the IUPAC name of 5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The IUPAC name of 5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (CID 154947464) is 5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].
What is the SMILES notation for 5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The canonical SMILES for 5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)-c5ccccc5C75CCCCC5)ccc43)cc2)cc1.
What is the InChIKey of 5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The InChIKey is YAQVBXPDGIGZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-4-14-36(15-5-1)37-22-26-41(27-23-37)55-50-21-11-9-19-43(50)45-32-38(24-28-51(45)55)39-25-29-52-46(33-39)47-34-49-44(35-53(47)56(52)40-16-6-2-7-17-40)42-18-8-10-20-48(42)54(49)30-12-3-13-31-54/h1-2,4-11,14-29,32-35H,3,12-13,30-31H2.
What are the key properties of 5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]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 5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 154947464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).