10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine

C108H69N9O2 — CID 134475908

About 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine

10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine (PubChem CID 134475908) has the molecular formula C108H69N9O2 and a molecular weight of 1524.80 g/mol. Its IUPAC name is 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine
• PubChem CID: 134475908
• Molecular Formula: C108H69N9O2
• Molecular Weight: 1524.80 g/mol
• Exact Mass: 1523.56
• IUPAC Name: 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine
• SMILES: C1=CC2c3cc(-c4ccc5c(c4)Oc4ccccc4N5c4ccc5ccccc5c4)ccc3N(c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6cc(N7c8ccccc8Oc8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10nc%11ccccc%11n%10-c%10ccccc%10)cc9)ccc87)ccc6c5)cc4)n3)C2C=C1
• InChI: InChI=1S/C108H69N9O2/c1-3-19-68(20-4-1)70-35-39-72(40-36-70)105-110-106(112-108(111-105)117-93-29-13-10-26-88(93)90-65-80(50-58-95(90)117)82-52-59-99-103(67-82)118-101-33-17-15-31-97(101)114(99)85-55-45-69-21-7-8-22-75(69)62-85)73-41-37-71(38-42-73)76-43-44-78-63-86(56-48-77(78)61-76)115-98-32-16-18-34-102(98)119-104-66-81(51-60-100(104)115)79-49-57-94-89(64-79)87-25-9-12-28-92(87)113(94)84-53-46-74(47-54-84)107-109-91-27-11-14-30-96(91)116(107)83-23-5-2-6-24-83/h1-67,88,93H
• InChIKey: MPWHUNIFJNGCPN-UHFFFAOYSA-N
• XLogP: 28.16
• TPSA: 89.60 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.80
LogP ≤ 5	28.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine?

The IUPAC name of 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine (CID 134475908) is 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine.

What is the SMILES notation for 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine?

The canonical SMILES for 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine is C1=CC2c3cc(-c4ccc5c(c4)Oc4ccccc4N5c4ccc5ccccc5c4)ccc3N(c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6cc(N7c8ccccc8Oc8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10nc%11ccccc%11n%10-c%10ccccc%10)cc9)ccc87)ccc6c5)cc4)n3)C2C=C1.

What is the InChIKey of 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine?

The InChIKey is MPWHUNIFJNGCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H69N9O2/c1-3-19-68(20-4-1)70-35-39-72(40-36-70)105-110-106(112-108(111-105)117-93-29-13-10-26-88(93)90-65-80(50-58-95(90)117)82-52-59-99-103(67-82)118-101-33-17-15-31-97(101)114(99)85-55-45-69-21-7-8-22-75(69)62-85)73-41-37-71(38-42-73)76-43-44-78-63-86(56-48-77(78)61-76)115-98-32-16-18-34-102(98)119-104-66-81(51-60-100(104)115)79-49-57-94-89(64-79)87-25-9-12-28-92(87)113(94)84-53-46-74(47-54-84)107-109-91-27-11-14-30-96(91)116(107)83-23-5-2-6-24-83/h1-67,88,93H.

What are the key properties of 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine?

10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine has a molecular weight of 1524.80 g/mol, XLogP of 28.16, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10-naphthalen-2-yl-3-[9-[4-[4-[6-[3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]phenoxazin-10-yl]naphthalen-2-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4b,8a-dihydrocarbazol-3-yl]phenoxazine is sourced from PubChem (CID 134475908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).