N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine

C125H89N5S — CID 158813268

About N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine

N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine (PubChem CID 158813268) has the molecular formula C125H89N5S and a molecular weight of 1693.19 g/mol. Its IUPAC name is N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
• PubChem CID: 158813268
• Molecular Formula: C125H89N5S
• Molecular Weight: 1693.19 g/mol
• Exact Mass: 1691.68
• IUPAC Name: N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
• SMILES: Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)sc4ncccc45)cc3)cc2)c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C63H44N2.C62H45N3S/c1-4-22-49(23-5-1)63(50-24-6-2-7-25-50)59-31-15-14-30-57(59)58-43-42-54(44-60(58)63)65(62-33-17-21-48-19-11-13-29-56(48)62)53-40-36-46(37-41-53)45-34-38-52(39-35-45)64(51-26-8-3-9-27-51)61-32-16-20-47-18-10-12-28-55(47)61;1-42-19-27-48(28-20-42)64(52-36-38-59-57(40-52)54-16-9-10-18-58(54)62(59,46-12-5-3-6-13-46)47-14-7-4-8-15-47)50-31-23-44(24-32-50)45-25-33-51(34-26-45)65(49-29-21-43(2)22-30-49)53-35-37-55-56-17-11-39-63-61(56)66-60(55)41-53/h1-44H;3-41H,1-2H3
• InChIKey: IUYIRJGJTZLINO-UHFFFAOYSA-N
• XLogP: 34.00
• TPSA: 25.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1693.19
LogP ≤ 5	34.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?

The IUPAC name of N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine (CID 158813268) is N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine.

What is the SMILES notation for N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?

The canonical SMILES for N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)sc4ncccc45)cc3)cc2)c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?

The InChIKey is IUYIRJGJTZLINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2.C62H45N3S/c1-4-22-49(23-5-1)63(50-24-6-2-7-25-50)59-31-15-14-30-57(59)58-43-42-54(44-60(58)63)65(62-33-17-21-48-19-11-13-29-56(48)62)53-40-36-46(37-41-53)45-34-38-52(39-35-45)64(51-26-8-3-9-27-51)61-32-16-20-47-18-10-12-28-55(47)61;1-42-19-27-48(28-20-42)64(52-36-38-59-57(40-52)54-16-9-10-18-58(54)62(59,46-12-5-3-6-13-46)47-14-7-4-8-15-47)50-31-23-44(24-32-50)45-25-33-51(34-26-45)65(49-29-21-43(2)22-30-49)53-35-37-55-56-17-11-39-63-61(56)66-60(55)41-53/h1-44H;3-41H,1-2H3.

What are the key properties of N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?

N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine has a molecular weight of 1693.19 g/mol, XLogP of 34.00, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 158813268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).