2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine

C235H150N12S4 — CID 165083692

About 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 165083692) has the molecular formula C235H150N12S4 and a molecular weight of 3270.14 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 165083692
• Molecular Formula: C235H150N12S4
• Molecular Weight: 3270.14 g/mol
• Exact Mass: 3267.10
• IUPAC Name: 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5ccccc5c5c4sc4ccc(-c6ccc(-c7ccccc7)c7ccccc67)cc45)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5sc6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6c5c5ccccc45)n3)cc21.c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5sc6c(-c7ccc(-c8ccccc8)c8ccccc78)cccc6c5c5ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3cc4ccccc4c4c3sc3c(-c5ccccc5)cccc34)n2)cc1
• InChI: InChI=1S/C62H41N3S.C60H39N3S.C57H35N3S.C56H35N3S/c1-62(2)54-24-14-13-23-50(54)51-31-29-44(37-55(51)62)60-63-59(41-27-25-39(26-28-41)38-15-5-3-6-16-38)64-61(65-60)53-36-42-19-9-10-20-47(42)57-52-35-43(30-34-56(52)66-58(53)57)46-33-32-45(40-17-7-4-8-18-40)48-21-11-12-22-49(46)48;1-60(2)52-23-13-12-21-47(52)48-28-27-41(33-53(48)60)58-61-57(40-25-24-36-14-6-7-17-38(36)32-40)62-59(63-58)51-35-55-56(49-22-11-10-20-46(49)51)50-29-26-39(34-54(50)64-55)43-31-30-42(37-15-4-3-5-16-37)44-18-8-9-19-45(43)44;1-3-15-36(16-4-1)40-21-13-22-41(33-40)55-58-56(42-30-29-37-17-7-8-20-39(37)34-42)60-57(59-55)51-35-52-53(48-26-12-11-25-46(48)51)50-28-14-27-49(54(50)61-52)47-32-31-43(38-18-5-2-6-19-38)44-23-9-10-24-45(44)47;1-5-18-36(19-6-1)43-29-17-30-46-50-42-27-14-13-22-38(42)34-47(52(50)60-51(43)46)55-58-53(37-20-7-2-8-21-37)57-54(59-55)39-32-33-45-44-28-15-16-31-48(44)56(49(45)35-39,40-23-9-3-10-24-40)41-25-11-4-12-26-41/h3-37H,1-2H3;3-35H,1-2H3;1-35H;1-35H
• InChIKey: VNTGQIZFCOZPTK-UHFFFAOYSA-N
• XLogP: 63.32
• TPSA: 154.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3270.14
LogP ≤ 5	63.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 165083692) is 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5ccccc5c5c4sc4ccc(-c6ccc(-c7ccccc7)c7ccccc67)cc45)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5sc6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6c5c5ccccc45)n3)cc21.c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5sc6c(-c7ccc(-c8ccccc8)c8ccccc78)cccc6c5c5ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3cc4ccccc4c4c3sc3c(-c5ccccc5)cccc34)n2)cc1.

What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is VNTGQIZFCOZPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3S.C60H39N3S.C57H35N3S.C56H35N3S/c1-62(2)54-24-14-13-23-50(54)51-31-29-44(37-55(51)62)60-63-59(41-27-25-39(26-28-41)38-15-5-3-6-16-38)64-61(65-60)53-36-42-19-9-10-20-47(42)57-52-35-43(30-34-56(52)66-58(53)57)46-33-32-45(40-17-7-4-8-18-40)48-21-11-12-22-49(46)48;1-60(2)52-23-13-12-21-47(52)48-28-27-41(33-53(48)60)58-61-57(40-25-24-36-14-6-7-17-38(36)32-40)62-59(63-58)51-35-55-56(49-22-11-10-20-46(49)51)50-29-26-39(34-54(50)64-55)43-31-30-42(37-15-4-3-5-16-37)44-18-8-9-19-45(43)44;1-3-15-36(16-4-1)40-21-13-22-41(33-40)55-58-56(42-30-29-37-17-7-8-20-39(37)34-42)60-57(59-55)51-35-52-53(48-26-12-11-25-46(48)51)50-28-14-27-49(54(50)61-52)47-32-31-43(38-18-5-2-6-19-38)44-23-9-10-24-45(44)47;1-5-18-36(19-6-1)43-29-17-30-46-50-42-27-14-13-22-38(42)34-47(52(50)60-51(43)46)55-58-53(37-20-7-2-8-21-37)57-54(59-55)39-32-33-45-44-28-15-16-31-48(44)56(49(45)35-39,40-23-9-3-10-24-40)41-25-11-4-12-26-41/h3-37H,1-2H3;3-35H,1-2H3;1-35H;1-35H.

What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 3270.14 g/mol, XLogP of 63.32, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-6-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(8-phenylnaphtho[2,1-b][1]benzothiol-6-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165083692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).