N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline

C100H70N4S4 — CID 160621011

About N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline

N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline (PubChem CID 160621011) has the molecular formula C100H70N4S4 and a molecular weight of 1455.96 g/mol. Its IUPAC name is N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
• PubChem CID: 160621011
• Molecular Formula: C100H70N4S4
• Molecular Weight: 1455.96 g/mol
• Exact Mass: 1454.45
• IUPAC Name: N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
• SMILES: C1=CC2c3ccccc3SC2C(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2)=C1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1
• InChI: InChI=1S/C52H36N2S2.C48H34N2S2/c1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-35-41-11-7-9-17-49(41)55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-36-42-12-8-10-18-50(42)56-52;1-3-13-35(14-4-1)49(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(36-15-5-2-6-16-36)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44/h1-36H;1-32,41,47H
• InChIKey: RGRXSABBMDOSJU-UHFFFAOYSA-N
• XLogP: 30.10
• TPSA: 12.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1455.96
LogP ≤ 5	30.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?

The IUPAC name of N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline (CID 160621011) is N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline.

What is the SMILES notation for N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?

The canonical SMILES for N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline is C1=CC2c3ccccc3SC2C(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2)=C1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1.

What is the InChIKey of N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?

The InChIKey is RGRXSABBMDOSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S2.C48H34N2S2/c1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-35-41-11-7-9-17-49(41)55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-36-42-12-8-10-18-50(42)56-52;1-3-13-35(14-4-1)49(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(36-15-5-2-6-16-36)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44/h1-36H;1-32,41,47H.

What are the key properties of N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?

N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline has a molecular weight of 1455.96 g/mol, XLogP of 30.10, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[N-(4a,9b-dihydrodibenzothiophen-4-yl)anilino]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline is sourced from PubChem (CID 160621011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).