11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

C67H42N2 — CID 118332070

IUPAC11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3ccc5c(c3n4-c3ccc(-c4cccc6c4c4ccccc4n6-c4ccccc4)cc3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C67H42N2/c1-3-17-43(18-4-1)45-19-15-20-46(41-45)47-35-40-62-57(42-47)55-39-38-54-53-25-9-13-30-60(53)67(58-28-11-7-23-51(58)52-24-8-12-29-59(52)67)65(54)66(55)69(62)49-36-33-44(34-37-49)50-27-16-32-63-64(50)56-26-10-14-31-61(56)68(63)48-21-5-2-6-22-48/h1-42H
InChIKeyFWBUIRCFZKFLNH-UHFFFAOYSA-N
MW875.09 g/mol
LogP17.23
Rot. Bonds5

About 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (PubChem CID 118332070) has the molecular formula C67H42N2 and a molecular weight of 875.09 g/mol. Its IUPAC name is 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole].

Molecular Properties

Compound Name11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
PubChem CID118332070
Molecular FormulaC67H42N2
Molecular Weight875.09 g/mol
Exact Mass874.33
IUPAC Name11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3ccc5c(c3n4-c3ccc(-c4cccc6c4c4ccccc4n6-c4ccccc4)cc3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C67H42N2/c1-3-17-43(18-4-1)45-19-15-20-46(41-45)47-35-40-62-57(42-47)55-39-38-54-53-25-9-13-30-60(53)67(58-28-11-7-23-51(58)52-24-8-12-29-59(52)67)65(54)66(55)69(62)49-36-33-44(34-37-49)50-27-16-32-63-64(50)56-26-10-14-31-61(56)68(63)48-21-5-2-6-22-48/h1-42H
InChIKeyFWBUIRCFZKFLNH-UHFFFAOYSA-N
XLogP17.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.09
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8',11'-bis(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331815
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358664
11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331859
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
9-[2'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-[7'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159219781
2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]
CID 129133135
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783

Frequently Asked Questions

What is the IUPAC name of 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The IUPAC name of 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (CID 118332070) is 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole].
What is the SMILES notation for 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The canonical SMILES for 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is c1ccc(-c2cccc(-c3ccc4c(c3)c3ccc5c(c3n4-c3ccc(-c4cccc6c4c4ccccc4n6-c4ccccc4)cc3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1.
What is the InChIKey of 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The InChIKey is FWBUIRCFZKFLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-3-17-43(18-4-1)45-19-15-20-46(41-45)47-35-40-62-57(42-47)55-39-38-54-53-25-9-13-30-60(53)67(58-28-11-7-23-51(58)52-24-8-12-29-59(52)67)65(54)66(55)69(62)49-36-33-44(34-37-49)50-27-16-32-63-64(50)56-26-10-14-31-61(56)68(63)48-21-5-2-6-22-48/h1-42H.
What are the key properties of 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] has a molecular weight of 875.09 g/mol, XLogP of 17.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is sourced from PubChem (CID 118332070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).