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

C124H84N4S2 — CID 165052697

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

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine (PubChem CID 165052697) has the molecular formula C124H84N4S2 and a molecular weight of 1694.20 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
• PubChem CID: 165052697
• Molecular Formula: C124H84N4S2
• Molecular Weight: 1694.20 g/mol
• Exact Mass: 1692.61
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cccc5cccc-4c35)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cccc5cccc-4c35)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
• InChI: InChI=1S/2C62H42N2S/c1-61(2)50-23-8-6-20-44(50)45-33-30-42(37-54(45)61)63(41-32-35-57-49(36-41)47-21-7-11-27-56(47)64(57)40-18-4-3-5-19-40)43-31-34-46-48-22-14-16-39-17-15-26-53(60(39)48)62(55(46)38-43)51-24-9-12-28-58(51)65-59-29-13-10-25-52(59)62;1-61(2)50-23-8-6-20-44(50)48-36-41(31-34-51(48)61)63(42-32-35-57-49(37-42)46-21-7-11-27-56(46)64(57)40-18-4-3-5-19-40)43-30-33-45-47-22-14-16-39-17-15-26-54(60(39)47)62(55(45)38-43)52-24-9-12-28-58(52)65-59-29-13-10-25-53(59)62/h2*3-38H,1-2H3
• InChIKey: PXOIYSYDWQTNBB-UHFFFAOYSA-N
• XLogP: 33.08
• TPSA: 16.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1694.20
LogP ≤ 5	33.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine (CID 165052697) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine.

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

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cccc5cccc-4c35)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cccc5cccc-4c35)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.

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

The InChIKey is PXOIYSYDWQTNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H42N2S/c1-61(2)50-23-8-6-20-44(50)45-33-30-42(37-54(45)61)63(41-32-35-57-49(36-41)47-21-7-11-27-56(47)64(57)40-18-4-3-5-19-40)43-31-34-46-48-22-14-16-39-17-15-26-53(60(39)48)62(55(46)38-43)51-24-9-12-28-58(51)65-59-29-13-10-25-52(59)62;1-61(2)50-23-8-6-20-44(50)48-36-41(31-34-51(48)61)63(42-32-35-57-49(37-42)46-21-7-11-27-56(46)64(57)40-18-4-3-5-19-40)43-30-33-45-47-22-14-16-39-17-15-26-54(60(39)47)62(55(45)38-43)52-24-9-12-28-58(52)65-59-29-13-10-25-53(59)62/h2*3-38H,1-2H3.

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

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine has a molecular weight of 1694.20 g/mol, XLogP of 33.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine is sourced from PubChem (CID 165052697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).