5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole

C156H96P4 — CID 159151083

About 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole

5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole (PubChem CID 159151083) has the molecular formula C156H96P4 and a molecular weight of 2094.38 g/mol. Its IUPAC name is 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole.

Molecular Properties

• Compound Name: 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole
• PubChem CID: 159151083
• Molecular Formula: C156H96P4
• Molecular Weight: 2094.38 g/mol
• Exact Mass: 2092.65
• IUPAC Name: 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole
• SMILES: Cp1c2ccccc2c2c(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c5c5ccccc5c5ccccc65)c5cccc(-c6cccc7c6c6ccccc6p7C)c5cc34)cccc21.c1ccc(-p2c3ccccc3c3cccc(-c4cccc5c(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7c6c6ccccc6c6ccccc76)c6cccc(-c7cccc8c9ccccc9p(-c9ccccc9)c78)c6cc45)c32)cc1
• InChI: InChI=1S/C83H50P2.C73H46P2/c1-3-24-51(25-4-1)84-75-48-17-13-30-57(75)65-42-21-40-63(81(65)84)55-36-19-38-60-70(55)50-71-56(64-41-22-43-66-58-31-14-18-49-76(58)85(82(64)66)52-26-5-2-6-27-52)37-20-39-61(71)77(60)69-44-23-47-74-78(69)67-34-11-15-45-72(67)83(74)73-46-16-12-35-68(73)79-59-32-9-7-28-53(59)54-29-8-10-33-62(54)80(79)83;1-74-63-38-13-9-26-55(63)69-47(32-18-40-65(69)74)45-28-15-30-50-58(45)42-59-46(48-33-19-41-66-70(48)56-27-10-14-39-64(56)75(66)2)29-16-31-51(59)67(50)57-34-17-37-62-68(57)53-24-7-11-35-60(53)73(62)61-36-12-8-25-54(61)71-49-22-5-3-20-43(49)44-21-4-6-23-52(44)72(71)73/h1-50H;3-42H,1-2H3
• InChIKey: KJHIKULRHQFHJS-UHFFFAOYSA-N
• XLogP: 45.51
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2094.38
LogP ≤ 5	45.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole?

The IUPAC name of 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole (CID 159151083) is 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole.

What is the SMILES notation for 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole?

The canonical SMILES for 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole is Cp1c2ccccc2c2c(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c5c5ccccc5c5ccccc65)c5cccc(-c6cccc7c6c6ccccc6p7C)c5cc34)cccc21.c1ccc(-p2c3ccccc3c3cccc(-c4cccc5c(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7c6c6ccccc6c6ccccc76)c6cccc(-c7cccc8c9ccccc9p(-c9ccccc9)c78)c6cc45)c32)cc1.

What is the InChIKey of 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole?

The InChIKey is KJHIKULRHQFHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H50P2.C73H46P2/c1-3-24-51(25-4-1)84-75-48-17-13-30-57(75)65-42-21-40-63(81(65)84)55-36-19-38-60-70(55)50-71-56(64-41-22-43-66-58-31-14-18-49-76(58)85(82(64)66)52-26-5-2-6-27-52)37-20-39-61(71)77(60)69-44-23-47-74-78(69)67-34-11-15-45-72(67)83(74)73-46-16-12-35-68(73)79-59-32-9-7-28-53(59)54-29-8-10-33-62(54)80(79)83;1-74-63-38-13-9-26-55(63)69-47(32-18-40-65(69)74)45-28-15-30-50-58(45)42-59-46(48-33-19-41-66-70(48)56-27-10-14-39-64(56)75(66)2)29-16-31-51(59)67(50)57-34-17-37-62-68(57)53-24-7-11-35-60(53)73(62)61-36-12-8-25-54(61)71-49-22-5-3-20-43(49)44-21-4-6-23-52(44)72(71)73/h1-50H;3-42H,1-2H3.

What are the key properties of 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole?

5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole has a molecular weight of 2094.38 g/mol, XLogP of 45.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-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]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-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]benzo[b]phosphindole is sourced from PubChem (CID 159151083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).