9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole

C73H46N2 — CID 155333687

About 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole

9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole (PubChem CID 155333687) has the molecular formula C73H46N2 and a molecular weight of 951.18 g/mol. Its IUPAC name is 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole.

Molecular Properties

• Compound Name: 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole
• PubChem CID: 155333687
• Molecular Formula: C73H46N2
• Molecular Weight: 951.18 g/mol
• Exact Mass: 950.37
• IUPAC Name: 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole
• SMILES: Cn1c2ccccc2c2ccc(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c5c5ccccc5c5ccccc65)c5cccc(-c6ccc7c8ccccc8n(C)c7c6)c5cc34)cc21
• InChI: InChI=1S/C73H46N2/c1-74-65-34-13-9-20-49(65)51-38-36-43(40-67(51)74)45-26-15-28-54-60(45)42-61-46(44-37-39-52-50-21-10-14-35-66(50)75(2)68(52)41-44)27-16-29-55(61)69(54)59-30-17-33-64-70(59)57-24-7-11-31-62(57)73(64)63-32-12-8-25-58(63)71-53-22-5-3-18-47(53)48-19-4-6-23-56(48)72(71)73/h3-42H,1-2H3
• InChIKey: VKZZUKWQSZHKJT-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.18
LogP ≤ 5	18.93
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 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole?

The IUPAC name of 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole (CID 155333687) is 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole.

What is the SMILES notation for 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole?

The canonical SMILES for 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole is Cn1c2ccccc2c2ccc(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c5c5ccccc5c5ccccc65)c5cccc(-c6ccc7c8ccccc8n(C)c7c6)c5cc34)cc21.

What is the InChIKey of 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole?

The InChIKey is VKZZUKWQSZHKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2/c1-74-65-34-13-9-20-49(65)51-38-36-43(40-67(51)74)45-26-15-28-54-60(45)42-61-46(44-37-39-52-50-21-10-14-35-66(50)75(2)68(52)41-44)27-16-29-55(61)69(54)59-30-17-33-64-70(59)57-24-7-11-31-62(57)73(64)63-32-12-8-25-58(63)71-53-22-5-3-18-47(53)48-19-4-6-23-56(48)72(71)73/h3-42H,1-2H3.

What are the key properties of 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole?

9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole has a molecular weight of 951.18 g/mol, XLogP of 18.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-2-[8-(9-methylcarbazol-2-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]carbazole is sourced from PubChem (CID 155333687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).