6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine

C101H64N12O2 — CID 129198570

About 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine

6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine (PubChem CID 129198570) has the molecular formula C101H64N12O2 and a molecular weight of 1477.70 g/mol. Its IUPAC name is 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine.

Molecular Properties

• Compound Name: 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine
• PubChem CID: 129198570
• Molecular Formula: C101H64N12O2
• Molecular Weight: 1477.70 g/mol
• Exact Mass: 1476.53
• IUPAC Name: 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4cccc(-c5ccc6c(c5)N(c5ccc(-c7cnc8cccnc8n7)cc5)c5ccc(-c7ccc8c(c7)Oc7ccccc7N8c7ccc(-c8ccc9ncccc9n8)cc7)cc5O6)c4)ccc2n3-c2ccc(-c3cnc4ccccc4n3)cc2)cc1
• InChI: InChI=1S/C101H64N12O2/c1-4-18-72(19-5-1)109(73-20-6-2-7-21-73)79-46-52-91-81(61-79)82-62-80(47-53-92(82)111(91)75-42-33-66(34-43-75)89-63-104-84-25-10-11-26-86(84)107-89)110(74-22-8-3-9-23-74)78-24-14-17-68(57-78)69-39-54-98-96(58-69)113(77-44-35-67(36-45-77)90-64-105-88-28-16-56-103-101(88)108-90)95-51-38-71(60-100(95)115-98)70-37-50-94-99(59-70)114-97-30-13-12-29-93(97)112(94)76-40-31-65(32-41-76)83-48-49-85-87(106-83)27-15-55-102-85/h1-64H
• InChIKey: RXFKZDOIMDWIJZ-UHFFFAOYSA-N
• XLogP: 26.43
• TPSA: 126.58 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1477.70
LogP ≤ 5	26.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine?

The IUPAC name of 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine (CID 129198570) is 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine.

What is the SMILES notation for 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine?

The canonical SMILES for 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4cccc(-c5ccc6c(c5)N(c5ccc(-c7cnc8cccnc8n7)cc5)c5ccc(-c7ccc8c(c7)Oc7ccccc7N8c7ccc(-c8ccc9ncccc9n8)cc7)cc5O6)c4)ccc2n3-c2ccc(-c3cnc4ccccc4n3)cc2)cc1.

What is the InChIKey of 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine?

The InChIKey is RXFKZDOIMDWIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H64N12O2/c1-4-18-72(19-5-1)109(73-20-6-2-7-21-73)79-46-52-91-81(61-79)82-62-80(47-53-92(82)111(91)75-42-33-66(34-43-75)89-63-104-84-25-10-11-26-86(84)107-89)110(74-22-8-3-9-23-74)78-24-14-17-68(57-78)69-39-54-98-96(58-69)113(77-44-35-67(36-45-77)90-64-105-88-28-16-56-103-101(88)108-90)95-51-38-71(60-100(95)115-98)70-37-50-94-99(59-70)114-97-30-13-12-29-93(97)112(94)76-40-31-65(32-41-76)83-48-49-85-87(106-83)27-15-55-102-85/h1-64H.

What are the key properties of 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine?

6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine has a molecular weight of 1477.70 g/mol, XLogP of 26.43, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[3-[7-[10-[4-(1,5-naphthyridin-2-yl)phenyl]phenoxazin-3-yl]-10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenoxazin-2-yl]phenyl]-3-N,3-N,6-N-triphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 129198570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).