[2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone

C71H45NO — CID 58084710

IUPAC[2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(C(=O)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc31)c1ccccc1-2
InChIInChI=1S/C71H45NO/c1-42-38-68(72-66-29-15-8-22-55(66)56-23-9-16-30-67(56)72)43(2)37-57(42)44-31-34-52-50-20-6-13-27-61(50)71(63(52)39-44)62-28-14-7-21-51(62)54-36-33-46(41-65(54)71)69(73)45-32-35-53-49-19-5-12-26-60(49)70(64(53)40-45)58-24-10-3-17-47(58)48-18-4-11-25-59(48)70/h3-41H,1-2H3
InChIKeyMNJVXTLUCZNYTK-UHFFFAOYSA-N
MW928.15 g/mol
LogP16.99
Rot. Bonds4

About [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone

[2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone (PubChem CID 58084710) has the molecular formula C71H45NO and a molecular weight of 928.15 g/mol. Its IUPAC name is [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
PubChem CID58084710
Molecular FormulaC71H45NO
Molecular Weight928.15 g/mol
Exact Mass927.35
IUPAC Name[2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(C(=O)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc31)c1ccccc1-2
InChIInChI=1S/C71H45NO/c1-42-38-68(72-66-29-15-8-22-55(66)56-23-9-16-30-67(56)72)43(2)37-57(42)44-31-34-52-50-20-6-13-27-61(50)71(63(52)39-44)62-28-14-7-21-51(62)54-36-33-46(41-65(54)71)69(73)45-32-35-53-49-19-5-12-26-60(49)70(64(53)40-45)58-24-10-3-17-47(58)48-18-4-11-25-59(48)70/h3-41H,1-2H3
InChIKeyMNJVXTLUCZNYTK-UHFFFAOYSA-N
XLogP16.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.15
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
The IUPAC name of [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone (CID 58084710) is [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone.
What is the SMILES notation for [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
The canonical SMILES for [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone is Cc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(C(=O)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc31)c1ccccc1-2.
What is the InChIKey of [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
The InChIKey is MNJVXTLUCZNYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H45NO/c1-42-38-68(72-66-29-15-8-22-55(66)56-23-9-16-30-67(56)72)43(2)37-57(42)44-31-34-52-50-20-6-13-27-61(50)71(63(52)39-44)62-28-14-7-21-51(62)54-36-33-46(41-65(54)71)69(73)45-32-35-53-49-19-5-12-26-60(49)70(64(53)40-45)58-24-10-3-17-47(58)48-18-4-11-25-59(48)70/h3-41H,1-2H3.
What are the key properties of [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
[2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone has a molecular weight of 928.15 g/mol, XLogP of 16.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone is sourced from PubChem (CID 58084710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).