1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine

C89H62N2 — CID 155334451

About 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine

1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine (PubChem CID 155334451) has the molecular formula C89H62N2 and a molecular weight of 1159.49 g/mol. Its IUPAC name is 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine.

Molecular Properties

• Compound Name: 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine
• PubChem CID: 155334451
• Molecular Formula: C89H62N2
• Molecular Weight: 1159.49 g/mol
• Exact Mass: 1158.49
• IUPAC Name: 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2cccc(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c5c5ccccc5c5ccccc65)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7c6ccccc6)c5cc34)c21
• InChI: InChI=1S/C89H62N2/c1-87(2)74-47-19-21-50-77(74)90(55-28-7-5-8-29-55)79-52-26-42-64(84(79)87)59-38-23-40-62-70(59)54-71-60(65-43-27-53-80-85(65)88(3,4)75-48-20-22-51-78(75)91(80)56-30-9-6-10-31-56)39-24-41-63(71)81(62)69-44-25-49-76-82(69)67-36-15-17-45-72(67)89(76)73-46-18-16-37-68(73)83-61-34-13-11-32-57(61)58-33-12-14-35-66(58)86(83)89/h5-54H,1-4H3
• InChIKey: PGIVNWUTTFPURB-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1159.49
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine?

The IUPAC name of 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine (CID 155334451) is 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine.

What is the SMILES notation for 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine?

The canonical SMILES for 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine is CC1(C)c2ccccc2N(c2ccccc2)c2cccc(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c5c5ccccc5c5ccccc65)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7c6ccccc6)c5cc34)c21.

What is the InChIKey of 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine?

The InChIKey is PGIVNWUTTFPURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H62N2/c1-87(2)74-47-19-21-50-77(74)90(55-28-7-5-8-29-55)79-52-26-42-64(84(79)87)59-38-23-40-62-70(59)54-71-60(65-43-27-53-80-85(65)88(3,4)75-48-20-22-51-78(75)91(80)56-30-9-6-10-31-56)39-24-41-63(71)81(62)69-44-25-49-76-82(69)67-36-15-17-45-72(67)89(76)73-46-18-16-37-68(73)83-61-34-13-11-32-57(61)58-33-12-14-35-66(58)86(83)89/h5-54H,1-4H3.

What are the key properties of 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine?

1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine has a molecular weight of 1159.49 g/mol, XLogP of 23.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 155334451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).