1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

C149H99N3OS3 — CID 167689381

About 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 167689381) has the molecular formula C149H99N3OS3 and a molecular weight of 2070.82 g/mol. Its IUPAC name is 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

• Compound Name: 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
• PubChem CID: 167689381
• Molecular Formula: C149H99N3OS3
• Molecular Weight: 2070.82 g/mol
• Exact Mass: 2068.86
• IUPAC Name: 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
• SMILES: [2H]c1c(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)c([2H])c2c(sc3c([2H])c([2H])c([2H])c(-c4ccc(-c5ccc6ccccc6c5)cc4)c32)c1[2H].[2H]c1c(N(c2ccccc2)c2c([2H])c([2H])c3sc4c([2H])c([2H])c([2H])c(-c5ccc(-c6cccc7ccccc67)cc5)c4c3c2[2H])cc2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c2oc2c([2H])c(N(c3ccccc3)c3ccc4sc5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5c4c3)c([2H])c([2H])c21
• InChI: InChI=1S/C50H31NOS.C50H33NS.C49H35NS/c1-2-12-38(13-3-1)51(40-24-27-43-44-26-23-34-10-6-7-14-42(34)50(44)52-46(43)31-40)39-25-28-47-45(30-39)49-41(15-8-16-48(49)53-47)35-20-17-33(18-21-35)37-22-19-32-9-4-5-11-36(32)29-37;1-2-10-34(11-3-1)36-26-28-42(29-27-36)51(47-18-8-15-38-13-6-7-16-44(38)47)43-30-31-48-46(33-43)50-45(17-9-19-49(50)52-48)39-23-20-37(21-24-39)41-25-22-35-12-4-5-14-40(35)32-41;1-49(2)44-20-9-8-17-41(44)42-28-26-37(31-45(42)49)50(35-14-4-3-5-15-35)36-27-29-46-43(30-36)48-40(19-11-21-47(48)51-46)34-24-22-33(23-25-34)39-18-10-13-32-12-6-7-16-38(32)39/h1-31H;1-33H;3-31H,1-2H3/i6D,7D,10D,14D,23D,24D,26D,27D,31D;9D,17D,19D,30D,31D,33D;8D,9D,11D,17D,19D,20D,21D,26D,27D,28D,29D,30D
• InChIKey: WRUMRORFRHIXGC-OGNYNRGXSA-N
• XLogP: 44.21
• TPSA: 22.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2070.82
LogP ≤ 5	44.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?

The IUPAC name of 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (CID 167689381) is 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.

What is the SMILES notation for 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?

The canonical SMILES for 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is [2H]c1c(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)c([2H])c2c(sc3c([2H])c([2H])c([2H])c(-c4ccc(-c5ccc6ccccc6c5)cc4)c32)c1[2H].[2H]c1c(N(c2ccccc2)c2c([2H])c([2H])c3sc4c([2H])c([2H])c([2H])c(-c5ccc(-c6cccc7ccccc67)cc5)c4c3c2[2H])cc2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c2oc2c([2H])c(N(c3ccccc3)c3ccc4sc5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5c4c3)c([2H])c([2H])c21.

What is the InChIKey of 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?

The InChIKey is WRUMRORFRHIXGC-OGNYNRGXSA-N. The full InChI is InChI=1S/C50H31NOS.C50H33NS.C49H35NS/c1-2-12-38(13-3-1)51(40-24-27-43-44-26-23-34-10-6-7-14-42(34)50(44)52-46(43)31-40)39-25-28-47-45(30-39)49-41(15-8-16-48(49)53-47)35-20-17-33(18-21-35)37-22-19-32-9-4-5-11-36(32)29-37;1-2-10-34(11-3-1)36-26-28-42(29-27-36)51(47-18-8-15-38-13-6-7-16-44(38)47)43-30-31-48-46(33-43)50-45(17-9-19-49(50)52-48)39-23-20-37(21-24-39)41-25-22-35-12-4-5-14-40(35)32-41;1-49(2)44-20-9-8-17-41(44)42-28-26-37(31-45(42)49)50(35-14-4-3-5-15-35)36-27-29-46-43(30-36)48-40(19-11-21-47(48)51-46)34-24-22-33(23-25-34)39-18-10-13-32-12-6-7-16-38(32)39/h1-31H;1-33H;3-31H,1-2H3/i6D,7D,10D,14D,23D,24D,26D,27D,31D;9D,17D,19D,30D,31D,33D;8D,9D,11D,17D,19D,20D,21D,26D,27D,28D,29D,30D.

What are the key properties of 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?

1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 2070.82 g/mol, XLogP of 44.21, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 167689381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).