10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one

C70H49N3O — CID 142287992

About 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one

10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one (PubChem CID 142287992) has the molecular formula C70H49N3O and a molecular weight of 948.18 g/mol. Its IUPAC name is 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one.

Molecular Properties

• Compound Name: 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one
• PubChem CID: 142287992
• Molecular Formula: C70H49N3O
• Molecular Weight: 948.18 g/mol
• Exact Mass: 947.39
• IUPAC Name: 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one
• SMILES: CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(N4c5ccc(-c6cccc(-c7ccccc7)c6)cc5N(c5ccccc5)c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc21
• InChI: InChI=1S/C70H49N3O/c1-70(2)61-27-14-12-26-58(61)69(74)59-37-31-51(43-62(59)70)47-29-35-56(36-30-47)72-65-39-33-52(49-20-16-19-48(41-49)46-17-6-3-7-18-46)44-67(65)73(55-23-10-5-11-24-55)68-45-53(34-40-66(68)72)50-32-38-64-60(42-50)57-25-13-15-28-63(57)71(64)54-21-8-4-9-22-54/h3-45H,1-2H3
• InChIKey: XAFKBURLBBYXFZ-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 28.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.18
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one?

The IUPAC name of 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one (CID 142287992) is 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one.

What is the SMILES notation for 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one?

The canonical SMILES for 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one is CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(N4c5ccc(-c6cccc(-c7ccccc7)c6)cc5N(c5ccccc5)c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc21.

What is the InChIKey of 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one?

The InChIKey is XAFKBURLBBYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N3O/c1-70(2)61-27-14-12-26-58(61)69(74)59-37-31-51(43-62(59)70)47-29-35-56(36-30-47)72-65-39-33-52(49-20-16-19-48(41-49)46-17-6-3-7-18-46)44-67(65)73(55-23-10-5-11-24-55)68-45-53(34-40-66(68)72)50-32-38-64-60(42-50)57-25-13-15-28-63(57)71(64)54-21-8-4-9-22-54/h3-45H,1-2H3.

What are the key properties of 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one?

10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one has a molecular weight of 948.18 g/mol, XLogP of 18.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one is sourced from PubChem (CID 142287992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).