9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

C167H115N5O2S4 — CID 165007469

About 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 165007469) has the molecular formula C167H115N5O2S4 and a molecular weight of 2352.06 g/mol. Its IUPAC name is 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
• PubChem CID: 165007469
• Molecular Formula: C167H115N5O2S4
• Molecular Weight: 2352.06 g/mol
• Exact Mass: 2349.79
• IUPAC Name: 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
• SMILES: CC(C)(C)c1ccc2c(c1)oc1c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5sc6ccccc6c45)cc3ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cc21.[C-]#[N+]c1ccc2sc3c4cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)ccc4ccc3c2c1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4c5ccccc5sc4c4ccccc34)cc2)cc1
• InChI: InChI=1S/C44H33NOS.C44H35N.C40H25NOS.C39H22N2S2/c1-44(2,3)31-19-24-35-36-23-18-30-26-33(22-25-34(30)43(36)46-39(35)27-31)45(32-20-16-29(17-21-32)28-10-5-4-6-11-28)38-13-9-15-41-42(38)37-12-7-8-14-40(37)47-41;1-43(2)37-19-11-9-17-34(37)35-24-23-32(27-39(35)43)45(31-22-21-28-13-5-6-14-29(28)25-31)40-26-30-15-7-8-16-33(30)42-41(40)36-18-10-12-20-38(36)44(42,3)4;1-2-10-26(11-3-1)27-18-20-28(21-19-27)41(29-22-23-32-31-13-6-8-16-37(31)42-38(32)24-29)36-25-35-33-14-7-9-17-39(33)43-40(35)34-15-5-4-12-30(34)36;1-40-27-13-18-38-34(21-27)32-17-12-25-11-15-29(22-33(25)39(32)43-38)41(28-14-10-24-6-2-3-7-26(24)20-28)30-16-19-37-35(23-30)31-8-4-5-9-36(31)42-37/h4-27H,1-3H3;5-27H,1-4H3;1-25H;2-23H
• InChIKey: JEKQZTNWDUBKDL-UHFFFAOYSA-N
• XLogP: 50.61
• TPSA: 43.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2352.06
LogP ≤ 5	50.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?

The IUPAC name of 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 165007469) is 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.

What is the SMILES notation for 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?

The canonical SMILES for 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is CC(C)(C)c1ccc2c(c1)oc1c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5sc6ccccc6c45)cc3ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cc21.[C-]#[N+]c1ccc2sc3c4cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)ccc4ccc3c2c1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4c5ccccc5sc4c4ccccc34)cc2)cc1.

What is the InChIKey of 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?

The InChIKey is JEKQZTNWDUBKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NOS.C44H35N.C40H25NOS.C39H22N2S2/c1-44(2,3)31-19-24-35-36-23-18-30-26-33(22-25-34(30)43(36)46-39(35)27-31)45(32-20-16-29(17-21-32)28-10-5-4-6-11-28)38-13-9-15-41-42(38)37-12-7-8-14-40(37)47-41;1-43(2)37-19-11-9-17-34(37)35-24-23-32(27-39(35)43)45(31-22-21-28-13-5-6-14-29(28)25-31)40-26-30-15-7-8-16-33(30)42-41(40)36-18-10-12-20-38(36)44(42,3)4;1-2-10-26(11-3-1)27-18-20-28(21-19-27)41(29-22-23-32-31-13-6-8-16-37(31)42-38(32)24-29)36-25-35-33-14-7-9-17-39(33)43-40(35)34-15-5-4-12-30(34)36;1-40-27-13-18-38-34(21-27)32-17-12-25-11-15-29(22-33(25)39(32)43-38)41(28-14-10-24-6-2-3-7-26(24)20-28)30-16-19-37-35(23-30)31-8-4-5-9-36(31)42-37/h4-27H,1-3H3;5-27H,1-4H3;1-25H;2-23H.

What are the key properties of 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?

9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 2352.06 g/mol, XLogP of 50.61, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-tert-butyl-N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-8-isocyano-N-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine;N-naphtho[1,2-b][1]benzothiol-5-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 165007469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).