N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine

C149H99N3O3S — CID 160712736

About N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine

N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine (PubChem CID 160712736) has the molecular formula C149H99N3O3S and a molecular weight of 2011.52 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine.

Molecular Properties

• Compound Name: N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
• PubChem CID: 160712736
• Molecular Formula: C149H99N3O3S
• Molecular Weight: 2011.52 g/mol
• Exact Mass: 2009.74
• IUPAC Name: N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccc5c6cc(-c7ccccc7)ccc6oc5c34)cc21.c1ccc(-c2ccc3oc4c(ccc5cccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7sc8ccccc8c7c6)c54)c3c2)cc1.c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc4ccc5c6cc(-c7ccccc7)ccc6oc5c34)c2)cc1
• InChI: InChI=1S/C52H35NO.C49H35NO.C48H29NOS/c1-5-15-36(16-6-1)41-24-13-25-45(32-41)53(46-33-43(38-19-9-3-10-20-38)31-44(34-46)39-21-11-4-12-22-39)49-26-14-23-40-27-29-47-48-35-42(37-17-7-2-8-18-37)28-30-50(48)54-52(47)51(40)49;1-49(2)43-21-10-9-20-39(43)40-27-25-38(31-44(40)49)50(37-19-11-18-35(29-37)32-13-5-3-6-14-32)45-22-12-17-34-23-26-41-42-30-36(33-15-7-4-8-16-33)24-28-46(42)51-48(41)47(34)45;1-2-9-30(10-3-1)33-20-25-44-41(28-33)40-23-19-32-12-8-15-43(47(32)48(40)50-44)49(36-22-26-46-42(29-36)39-14-6-7-16-45(39)51-46)35-21-24-38-34(27-35)18-17-31-11-4-5-13-37(31)38/h1-35H;3-31H,1-2H3;1-29H
• InChIKey: RSBNVCOJKFZXHO-UHFFFAOYSA-N
• XLogP: 43.28
• TPSA: 49.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2011.52
LogP ≤ 5	43.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine?

The IUPAC name of N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine (CID 160712736) is N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine.

What is the SMILES notation for N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine?

The canonical SMILES for N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccc5c6cc(-c7ccccc7)ccc6oc5c34)cc21.c1ccc(-c2ccc3oc4c(ccc5cccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7sc8ccccc8c7c6)c54)c3c2)cc1.c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc4ccc5c6cc(-c7ccccc7)ccc6oc5c34)c2)cc1.

What is the InChIKey of N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine?

The InChIKey is RSBNVCOJKFZXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO.C49H35NO.C48H29NOS/c1-5-15-36(16-6-1)41-24-13-25-45(32-41)53(46-33-43(38-19-9-3-10-20-38)31-44(34-46)39-21-11-4-12-22-39)49-26-14-23-40-27-29-47-48-35-42(37-17-7-2-8-18-37)28-30-50(48)54-52(47)51(40)49;1-49(2)43-21-10-9-20-39(43)40-27-25-38(31-44(40)49)50(37-19-11-18-35(29-37)32-13-5-3-6-14-32)45-22-12-17-34-23-26-41-42-30-36(33-15-7-4-8-16-33)24-28-46(42)51-48(41)47(34)45;1-2-9-30(10-3-1)33-20-25-44-41(28-33)40-23-19-32-12-8-15-43(47(32)48(40)50-44)49(36-22-26-46-42(29-36)39-14-6-7-16-45(39)51-46)35-21-24-38-34(27-35)18-17-31-11-4-5-13-37(31)38/h1-35H;3-31H,1-2H3;1-29H.

What are the key properties of N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine?

N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine has a molecular weight of 2011.52 g/mol, XLogP of 43.28, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine is sourced from PubChem (CID 160712736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).