N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine

C166H107N3O2S — CID 164985809

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine (PubChem CID 164985809) has the molecular formula C166H107N3O2S and a molecular weight of 2207.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
• PubChem CID: 164985809
• Molecular Formula: C166H107N3O2S
• Molecular Weight: 2207.77 g/mol
• Exact Mass: 2205.81
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)cc21.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)c2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3sc3ccccc32)cc1
• InChI: InChI=1S/C58H39NO.C55H35NO.C53H33NS/c1-57(2)48-20-10-6-16-41(48)43-30-28-39(34-52(43)57)59(38-26-24-37(25-27-38)36-14-4-3-5-15-36)40-29-31-44-42-17-7-11-21-49(42)58(53(44)35-40)50-22-12-8-19-47(50)55-51(58)33-32-46-45-18-9-13-23-54(45)60-56(46)55;1-4-16-36(17-5-1)38-32-39(37-18-6-2-7-19-37)34-42(33-38)56(40-20-8-3-9-21-40)41-28-29-44-43-22-10-13-25-48(43)55(51(44)35-41)49-26-14-11-24-47(49)53-50(55)31-30-46-45-23-12-15-27-52(45)57-54(46)53;1-2-14-38(15-3-1)54(39-26-24-35(25-27-39)37-23-22-34-12-4-5-13-36(34)32-37)40-28-29-42-41-16-6-9-19-46(41)53(49(42)33-40)47-20-10-7-18-45(47)51-48(53)31-30-44-43-17-8-11-21-50(43)55-52(44)51/h3-35H,1-2H3;1-35H;1-33H
• InChIKey: GDKGJRIWBNIXEM-UHFFFAOYSA-N
• XLogP: 44.79
• TPSA: 36.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2207.77
LogP ≤ 5	44.79
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)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine (CID 164985809) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)cc21.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)c2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3sc3ccccc32)cc1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine?

The InChIKey is GDKGJRIWBNIXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO.C55H35NO.C53H33NS/c1-57(2)48-20-10-6-16-41(48)43-30-28-39(34-52(43)57)59(38-26-24-37(25-27-38)36-14-4-3-5-15-36)40-29-31-44-42-17-7-11-21-49(42)58(53(44)35-40)50-22-12-8-19-47(50)55-51(58)33-32-46-45-18-9-13-23-54(45)60-56(46)55;1-4-16-36(17-5-1)38-32-39(37-18-6-2-7-19-37)34-42(33-38)56(40-20-8-3-9-21-40)41-28-29-44-43-22-10-13-25-48(43)55(51(44)35-41)49-26-14-11-24-47(49)53-50(55)31-30-46-45-23-12-15-27-52(45)57-54(46)53;1-2-14-38(15-3-1)54(39-26-24-35(25-27-39)37-23-22-34-12-4-5-13-36(34)32-37)40-28-29-42-41-16-6-9-19-46(41)53(49(42)33-40)47-20-10-7-18-45(47)51-48(53)31-30-44-43-17-8-11-21-50(43)55-52(44)51/h3-35H,1-2H3;1-35H;1-33H.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine has a molecular weight of 2207.77 g/mol, XLogP of 44.79, 13 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)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine is sourced from PubChem (CID 164985809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).