9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine

C59H38N2 — CID 134216030

IUPAC9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H38N2/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)60(44-33-36-57-52(37-44)50-23-11-14-26-56(50)61(57)42-18-5-2-6-19-42)45-32-35-49-47-21-9-12-24-53(47)59(55(49)38-45)54-25-13-10-22-48(54)51-34-29-41-17-7-8-20-46(41)58(51)59/h1-38H
InChIKeyYORHLQDDGKWALX-UHFFFAOYSA-N
MW774.97 g/mol
LogP15.42
Rot. Bonds5

About 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine

9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine (PubChem CID 134216030) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
PubChem CID134216030
Molecular FormulaC59H38N2
Molecular Weight774.97 g/mol
Exact Mass774.30
IUPAC Name9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H38N2/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)60(44-33-36-57-52(37-44)50-23-11-14-26-56(50)61(57)42-18-5-2-6-19-42)45-32-35-49-47-21-9-12-24-53(47)59(55(49)38-45)54-25-13-10-22-48(54)51-34-29-41-17-7-8-20-46(41)58(51)59/h1-38H
InChIKeyYORHLQDDGKWALX-UHFFFAOYSA-N
XLogP15.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine?
The IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine (CID 134216030) is 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine?
The InChIKey is YORHLQDDGKWALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)60(44-33-36-57-52(37-44)50-23-11-14-26-56(50)61(57)42-18-5-2-6-19-42)45-32-35-49-47-21-9-12-24-53(47)59(55(49)38-45)54-25-13-10-22-48(54)51-34-29-41-17-7-8-20-46(41)58(51)59/h1-38H.
What are the key properties of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine?
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine has a molecular weight of 774.97 g/mol, XLogP of 15.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine is sourced from PubChem (CID 134216030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).