N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine

C72H45N3O2S — CID 149148527

About N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine

N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 149148527) has the molecular formula C72H45N3O2S and a molecular weight of 1016.24 g/mol. Its IUPAC name is N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine
• PubChem CID: 149148527
• Molecular Formula: C72H45N3O2S
• Molecular Weight: 1016.24 g/mol
• Exact Mass: 1015.32
• IUPAC Name: N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc5)ccc3n4-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C72H45N3O2S/c1-3-13-50(14-4-1)73(54-33-38-69-62(43-54)57-17-7-10-20-67(57)76-69)52-29-23-46(24-30-52)48-27-36-65-60(41-48)61-42-49(28-37-66(61)75(65)56-35-40-72-64(45-56)59-19-9-12-22-71(59)78-72)47-25-31-53(32-26-47)74(51-15-5-2-6-16-51)55-34-39-70-63(44-55)58-18-8-11-21-68(58)77-70/h1-45H
• InChIKey: RLIKYOFRMHEVBV-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 37.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.24
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine?

The IUPAC name of N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine (CID 149148527) is N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine.

What is the SMILES notation for N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine?

The canonical SMILES for N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc5)ccc3n4-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine?

The InChIKey is RLIKYOFRMHEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N3O2S/c1-3-13-50(14-4-1)73(54-33-38-69-62(43-54)57-17-7-10-20-67(57)76-69)52-29-23-46(24-30-52)48-27-36-65-60(41-48)61-42-49(28-37-66(61)75(65)56-35-40-72-64(45-56)59-19-9-12-22-71(59)78-72)47-25-31-53(32-26-47)74(51-15-5-2-6-16-51)55-34-39-70-63(44-55)58-18-8-11-21-68(58)77-70/h1-45H.

What are the key properties of N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine?

N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 1016.24 g/mol, XLogP of 21.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 149148527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).