9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole

C67H42N2 — CID 140922382

IUPAC9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)ccc32)cc1
InChIInChI=1S/C67H42N2/c1-3-17-49(18-4-1)68-64-30-16-11-25-56(64)58-40-43(33-36-65(58)68)46-37-47(39-48(38-46)45-32-35-57-55-24-10-15-29-63(55)69(66(57)42-45)50-19-5-2-6-20-50)44-31-34-54-53-23-9-14-28-61(53)67(62(54)41-44)59-26-12-7-21-51(59)52-22-8-13-27-60(52)67/h1-42H
InChIKeyIOQMNHKVRFKTQQ-UHFFFAOYSA-N
MW875.09 g/mol
LogP17.23
Rot. Bonds5

About 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole

9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole (PubChem CID 140922382) has the molecular formula C67H42N2 and a molecular weight of 875.09 g/mol. Its IUPAC name is 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
PubChem CID140922382
Molecular FormulaC67H42N2
Molecular Weight875.09 g/mol
Exact Mass874.33
IUPAC Name9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)ccc32)cc1
InChIInChI=1S/C67H42N2/c1-3-17-49(18-4-1)68-64-30-16-11-25-56(64)58-40-43(33-36-65(58)68)46-37-47(39-48(38-46)45-32-35-57-55-24-10-15-29-63(55)69(66(57)42-45)50-19-5-2-6-20-50)44-31-34-54-53-23-9-14-28-61(53)67(62(54)41-44)59-26-12-7-21-51(59)52-22-8-13-27-60(52)67/h1-42H
InChIKeyIOQMNHKVRFKTQQ-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

9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole?
The IUPAC name of 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole (CID 140922382) is 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole?
The canonical SMILES for 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)ccc32)cc1.
What is the InChIKey of 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole?
The InChIKey is IOQMNHKVRFKTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-3-17-49(18-4-1)68-64-30-16-11-25-56(64)58-40-43(33-36-65(58)68)46-37-47(39-48(38-46)45-32-35-57-55-24-10-15-29-63(55)69(66(57)42-45)50-19-5-2-6-20-50)44-31-34-54-53-23-9-14-28-61(53)67(62(54)41-44)59-26-12-7-21-51(59)52-22-8-13-27-60(52)67/h1-42H.
What are the key properties of 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole?
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]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 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole is sourced from PubChem (CID 140922382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).