2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline

C179H106N6 — CID 167635803

About 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline

2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline (PubChem CID 167635803) has the molecular formula C179H106N6 and a molecular weight of 2340.86 g/mol. Its IUPAC name is 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline
• PubChem CID: 167635803
• Molecular Formula: C179H106N6
• Molecular Weight: 2340.86 g/mol
• Exact Mass: 2338.85
• IUPAC Name: 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline
• SMILES: Cc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(C)cc4)ccc2C32c3ccc(-c4ccccc4)cc3-c3c2cc2c(c3-c3ccc4ccc5cccnc5c4n3)-c3cccc4cccc-2c34)cc1.c1ccc(-c2cc3c4c(cccc4c2)-c2cc4c(c(-c5ccc6ccc7cccnc7c6n5)c2-3)-c2ccccc2C42c3ccccc3-c3ccccc32)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3cc3c(c4-c4ccc5ccc6cccnc6c5n4)-c4cccc5cccc-3c45)c2)cc1
• InChI: InChI=1S/C67H42N2.C59H34N2.C53H30N2/c1-39-16-20-42(21-17-39)47-26-30-56-52(35-47)53-36-48(43-22-18-40(2)19-23-43)27-31-57(53)67(56)58-32-28-49(41-9-4-3-5-10-41)37-55(58)63-59(67)38-54-50-14-6-11-44-12-7-15-51(61(44)50)62(54)64(63)60-33-29-46-25-24-45-13-8-34-68-65(45)66(46)69-60;1-2-12-35(13-3-1)39-16-8-17-40(32-39)41-27-29-43-42-19-4-6-23-48(42)59(50(43)33-41)49-24-7-5-20-45(49)55-51(59)34-47-44-21-9-14-36-15-10-22-46(53(36)44)54(47)56(55)52-30-28-38-26-25-37-18-11-31-60-57(37)58(38)61-52;1-2-12-31(13-3-1)35-28-34-14-10-19-38-40-30-45-49(39-18-6-9-22-44(39)53(45)42-20-7-4-16-36(42)37-17-5-8-21-43(37)53)50(48(40)41(29-35)47(34)38)46-26-25-33-24-23-32-15-11-27-54-51(32)52(33)55-46/h3-38H,1-2H3;1-34H;1-30H
• InChIKey: OLPUHCVDCJOGGL-UHFFFAOYSA-N
• XLogP: 45.40
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2340.86
LogP ≤ 5	45.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline?

The IUPAC name of 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline (CID 167635803) is 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline.

What is the SMILES notation for 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline?

The canonical SMILES for 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline is Cc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(C)cc4)ccc2C32c3ccc(-c4ccccc4)cc3-c3c2cc2c(c3-c3ccc4ccc5cccnc5c4n3)-c3cccc4cccc-2c34)cc1.c1ccc(-c2cc3c4c(cccc4c2)-c2cc4c(c(-c5ccc6ccc7cccnc7c6n5)c2-3)-c2ccccc2C42c3ccccc3-c3ccccc32)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3cc3c(c4-c4ccc5ccc6cccnc6c5n4)-c4cccc5cccc-3c45)c2)cc1.

What is the InChIKey of 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline?

The InChIKey is OLPUHCVDCJOGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2.C59H34N2.C53H30N2/c1-39-16-20-42(21-17-39)47-26-30-56-52(35-47)53-36-48(43-22-18-40(2)19-23-43)27-31-57(53)67(56)58-32-28-49(41-9-4-3-5-10-41)37-55(58)63-59(67)38-54-50-14-6-11-44-12-7-15-51(61(44)50)62(54)64(63)60-33-29-46-25-24-45-13-8-34-68-65(45)66(46)69-60;1-2-12-35(13-3-1)39-16-8-17-40(32-39)41-27-29-43-42-19-4-6-23-48(42)59(50(43)33-41)49-24-7-5-20-45(49)55-51(59)34-47-44-21-9-14-36-15-10-22-46(53(36)44)54(47)56(55)52-30-28-38-26-25-37-18-11-31-60-57(37)58(38)61-52;1-2-12-31(13-3-1)35-28-34-14-10-19-38-40-30-45-49(39-18-6-9-22-44(39)53(45)42-20-7-4-16-36(42)37-17-5-8-21-43(37)53)50(48(40)41(29-35)47(34)38)46-26-25-33-24-23-32-15-11-27-54-51(32)52(33)55-46/h3-38H,1-2H3;1-34H;1-30H.

What are the key properties of 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline?

2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline has a molecular weight of 2340.86 g/mol, XLogP of 45.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,6-bis(4-methylphenyl)-7'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5(10),6,8,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-[2-(3-phenylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl]-1,10-phenanthroline;2-(21'-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(23),2,4(12),5,7,9,13,15,17,19,21-undecaene]-3'-yl)-1,10-phenanthroline is sourced from PubChem (CID 167635803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).