N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine

C98H56N6O4S2 — CID 167130025

About N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine

N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine (PubChem CID 167130025) has the molecular formula C98H56N6O4S2 and a molecular weight of 1445.70 g/mol. Its IUPAC name is N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine.

Molecular Properties

• Compound Name: N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
• PubChem CID: 167130025
• Molecular Formula: C98H56N6O4S2
• Molecular Weight: 1445.70 g/mol
• Exact Mass: 1444.38
• IUPAC Name: N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
• SMILES: c1ccc(-c2nc3cc4oc5ccc(N(c6ccc7c(c6)sc6cc(-c8cccc(-c9nc%10cc%11c(cc%10o9)oc9ccc(N(c%10ccc%12c(c%10)sc%10ccccc%10%12)c%10cccc%12c%13ccccc%13n(-c%13ccccc%13)c%10%12)cc9%11)c8)ccc67)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4cc3o2)cc1
• InChI: InChI=1S/C98H56N6O4S2/c1-4-18-57(19-5-1)97-100-81-55-88-79(54-90(81)107-97)77-49-64(38-44-87(77)105-88)101(63-37-43-84-75(48-63)69-27-11-13-30-82(69)103(84)61-22-6-2-7-23-61)66-35-41-73-71-40-34-59(47-93(71)110-95(73)51-66)58-20-16-21-60(46-58)98-99-80-53-78-76-50-65(39-45-86(76)106-89(78)56-91(80)108-98)102(67-36-42-72-70-28-12-15-33-92(70)109-94(72)52-67)85-32-17-29-74-68-26-10-14-31-83(68)104(96(74)85)62-24-8-3-9-25-62/h1-56H
• InChIKey: JXLHWXOYIHJXOK-UHFFFAOYSA-N
• XLogP: 28.64
• TPSA: 94.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1445.70
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?

The IUPAC name of N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine (CID 167130025) is N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine.

What is the SMILES notation for N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?

The canonical SMILES for N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine is c1ccc(-c2nc3cc4oc5ccc(N(c6ccc7c(c6)sc6cc(-c8cccc(-c9nc%10cc%11c(cc%10o9)oc9ccc(N(c%10ccc%12c(c%10)sc%10ccccc%10%12)c%10cccc%12c%13ccccc%13n(-c%13ccccc%13)c%10%12)cc9%11)c8)ccc67)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4cc3o2)cc1.

What is the InChIKey of N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?

The InChIKey is JXLHWXOYIHJXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H56N6O4S2/c1-4-18-57(19-5-1)97-100-81-55-88-79(54-90(81)107-97)77-49-64(38-44-87(77)105-88)101(63-37-43-84-75(48-63)69-27-11-13-30-82(69)103(84)61-22-6-2-7-23-61)66-35-41-73-71-40-34-59(47-93(71)110-95(73)51-66)58-20-16-21-60(46-58)98-99-80-53-78-76-50-65(39-45-86(76)106-89(78)56-91(80)108-98)102(67-36-42-72-70-28-12-15-33-92(70)109-94(72)52-67)85-32-17-29-74-68-26-10-14-31-83(68)104(96(74)85)62-24-8-3-9-25-62/h1-56H.

What are the key properties of N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?

N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine has a molecular weight of 1445.70 g/mol, XLogP of 28.64, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine is sourced from PubChem (CID 167130025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).