8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole

C65H46N4 — CID 134431503

About 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole (PubChem CID 134431503) has the molecular formula C65H46N4 and a molecular weight of 883.11 g/mol. Its IUPAC name is 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
• PubChem CID: 134431503
• Molecular Formula: C65H46N4
• Molecular Weight: 883.11 g/mol
• Exact Mass: 882.37
• IUPAC Name: 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5cccc(-c6cc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccccc7)n6)c5)c34)cc21
• InChI: InChI=1S/C65H46N4/c1-65(2)55-30-14-15-31-59(55)68(50-24-10-5-11-25-50)60-38-37-48(41-56(60)65)53-28-17-29-54-62-52-27-13-12-20-45(52)36-39-61(62)69(63(53)54)51-26-16-23-49(40-51)58-42-57(66-64(67-58)47-21-8-4-9-22-47)46-34-32-44(33-35-46)43-18-6-3-7-19-43/h3-42H,1-2H3
• InChIKey: MMFDRDIBLBQTAX-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.11
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole?

The IUPAC name of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole (CID 134431503) is 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole.

What is the SMILES notation for 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole?

The canonical SMILES for 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5cccc(-c6cc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccccc7)n6)c5)c34)cc21.

What is the InChIKey of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole?

The InChIKey is MMFDRDIBLBQTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N4/c1-65(2)55-30-14-15-31-59(55)68(50-24-10-5-11-25-50)60-38-37-48(41-56(60)65)53-28-17-29-54-62-52-27-13-12-20-45(52)36-39-61(62)69(63(53)54)51-26-16-23-49(40-51)58-42-57(66-64(67-58)47-21-8-4-9-22-47)46-34-32-44(33-35-46)43-18-6-3-7-19-43/h3-42H,1-2H3.

What are the key properties of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole?

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole has a molecular weight of 883.11 g/mol, XLogP of 17.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 134431503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).