2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C62H38N4 — CID 142606984

IUPAC2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7-n7c6nc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C62H38N4/c1-3-15-43(16-4-1)64-55-24-12-8-20-47(55)48-35-39(28-32-56(48)64)40-29-33-57-49(36-40)50-37-41(30-34-58(50)65(57)44-17-5-2-6-18-44)42-27-31-46-45-19-7-9-21-51(45)62(53(46)38-42)52-22-10-13-25-59(52)66-60-26-14-11-23-54(60)63-61(62)66/h1-38H
InChIKeySTTSGDPQHCMFSZ-UHFFFAOYSA-N
MW839.01 g/mol
LogP15.23
Rot. Bonds4

About 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 142606984) has the molecular formula C62H38N4 and a molecular weight of 839.01 g/mol. Its IUPAC name is 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

Compound Name2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
PubChem CID142606984
Molecular FormulaC62H38N4
Molecular Weight839.01 g/mol
Exact Mass838.31
IUPAC Name2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7-n7c6nc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C62H38N4/c1-3-15-43(16-4-1)64-55-24-12-8-20-47(55)48-35-39(28-32-56(48)64)40-29-33-57-49(36-40)50-37-41(30-34-58(50)65(57)44-17-5-2-6-18-44)42-27-31-46-45-19-7-9-21-51(45)62(53(46)38-42)52-22-10-13-25-59(52)66-60-26-14-11-23-54(60)63-61(62)66/h1-38H
InChIKeySTTSGDPQHCMFSZ-UHFFFAOYSA-N
XLogP15.23
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.01
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606955
2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607289
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607174
4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607171
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 162484092
ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607121
9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
CID 58500843
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
3-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118688237
N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine
CID 162484127

Frequently Asked Questions

What is the IUPAC name of 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The IUPAC name of 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 142606984) is 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].
What is the SMILES notation for 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The canonical SMILES for 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7-n7c6nc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The InChIKey is STTSGDPQHCMFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4/c1-3-15-43(16-4-1)64-55-24-12-8-20-47(55)48-35-39(28-32-56(48)64)40-29-33-57-49(36-40)50-37-41(30-34-58(50)65(57)44-17-5-2-6-18-44)42-27-31-46-45-19-7-9-21-51(45)62(53(46)38-42)52-22-10-13-25-59(52)66-60-26-14-11-23-54(60)63-61(62)66/h1-38H.
What are the key properties of 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] has a molecular weight of 839.01 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 142606984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).