N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine

C62H42N2O — CID 164794173

About N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine

N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine (PubChem CID 164794173) has the molecular formula C62H42N2O and a molecular weight of 831.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
• PubChem CID: 164794173
• Molecular Formula: C62H42N2O
• Molecular Weight: 831.03 g/mol
• Exact Mass: 830.33
• IUPAC Name: N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc21
• InChI: InChI=1S/C62H42N2O/c1-61(2)48-25-9-7-23-46(48)60-51(61)28-16-31-56(60)63(41-33-35-55-47(37-41)44-22-8-12-30-54(44)64(55)40-19-4-3-5-20-40)42-34-36-58-53(38-42)62(50-27-11-13-32-57(50)65-58)49-26-10-6-21-43(49)45-24-14-17-39-18-15-29-52(62)59(39)45/h3-38H,1-2H3
• InChIKey: ZEYROLLGPJZFEQ-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.03
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine (CID 164794173) is N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?

The InChIKey is ZEYROLLGPJZFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2O/c1-61(2)48-25-9-7-23-46(48)60-51(61)28-16-31-56(60)63(41-33-35-55-47(37-41)44-22-8-12-30-54(44)64(55)40-19-4-3-5-20-40)42-34-36-58-53(38-42)62(50-27-11-13-32-57(50)65-58)49-26-10-6-21-43(49)45-24-14-17-39-18-15-29-52(62)59(39)45/h3-38H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?

N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine has a molecular weight of 831.03 g/mol, XLogP of 16.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine is sourced from PubChem (CID 164794173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).