3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine

C118H88N6O4 — CID 139312535

About 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine

3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine (PubChem CID 139312535) has the molecular formula C118H88N6O4 and a molecular weight of 1654.04 g/mol. Its IUPAC name is 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine
• PubChem CID: 139312535
• Molecular Formula: C118H88N6O4
• Molecular Weight: 1654.04 g/mol
• Exact Mass: 1652.69
• IUPAC Name: 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine
• SMILES: Cc1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2c(c1)c1cc(C)cc(-c3ccc(N4c5ccccc5Oc5cc(-c6ccc7c(c6)Oc6ccccc6N7c6ccc(-c7cc(C(C)(C)C)cc8c9cc(C(C)(C)C)cc(-c%10ccc(N%11c%12ccccc%12Oc%12ccccc%12%11)cc%10)c9n(-c9ccccc9)c78)cc6)ccc54)cc3)c1n2-c1ccccc1
• InChI: InChI=1S/C118H88N6O4/c1-73-63-89(75-43-53-85(54-44-75)119-97-31-15-21-37-105(97)125-106-38-22-16-32-98(106)119)113-93(65-73)94-66-74(2)64-90(114(94)123(113)83-27-11-9-12-28-83)76-45-55-87(56-46-76)121-101-35-19-25-41-109(101)127-111-67-79(51-61-103(111)121)80-52-62-104-112(68-80)128-110-42-26-20-36-102(110)122(104)88-59-49-78(50-60-88)92-70-82(118(6,7)8)72-96-95-71-81(117(3,4)5)69-91(115(95)124(116(92)96)84-29-13-10-14-30-84)77-47-57-86(58-48-77)120-99-33-17-23-39-107(99)126-108-40-24-18-34-100(108)120/h9-72H,1-8H3
• InChIKey: IXHLCYOYRHPNCK-UHFFFAOYSA-N
• XLogP: 33.73
• TPSA: 59.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1654.04
LogP ≤ 5	33.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine?

The IUPAC name of 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine (CID 139312535) is 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine.

What is the SMILES notation for 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine?

The canonical SMILES for 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine is Cc1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2c(c1)c1cc(C)cc(-c3ccc(N4c5ccccc5Oc5cc(-c6ccc7c(c6)Oc6ccccc6N7c6ccc(-c7cc(C(C)(C)C)cc8c9cc(C(C)(C)C)cc(-c%10ccc(N%11c%12ccccc%12Oc%12ccccc%12%11)cc%10)c9n(-c9ccccc9)c78)cc6)ccc54)cc3)c1n2-c1ccccc1.

What is the InChIKey of 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine?

The InChIKey is IXHLCYOYRHPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H88N6O4/c1-73-63-89(75-43-53-85(54-44-75)119-97-31-15-21-37-105(97)125-106-38-22-16-32-98(106)119)113-93(65-73)94-66-74(2)64-90(114(94)123(113)83-27-11-9-12-28-83)76-45-55-87(56-46-76)121-101-35-19-25-41-109(101)127-111-67-79(51-61-103(111)121)80-52-62-104-112(68-80)128-110-42-26-20-36-102(110)122(104)88-59-49-78(50-60-88)92-70-82(118(6,7)8)72-96-95-71-81(117(3,4)5)69-91(115(95)124(116(92)96)84-29-13-10-14-30-84)77-47-57-86(58-48-77)120-99-33-17-23-39-107(99)126-108-40-24-18-34-100(108)120/h9-72H,1-8H3.

What are the key properties of 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine?

3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine has a molecular weight of 1654.04 g/mol, XLogP of 33.73, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-[4-[3,6-ditert-butyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazin-3-yl]-10-[4-[3,6-dimethyl-8-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-1-yl]phenyl]phenoxazine is sourced from PubChem (CID 139312535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).