ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene]

C75H62 — CID 145353190

About ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene]

ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene] (PubChem CID 145353190) has the molecular formula C75H62 and a molecular weight of 963.32 g/mol. Its IUPAC name is ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene].

Molecular Properties

• Compound Name: ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene]
• PubChem CID: 145353190
• Molecular Formula: C75H62
• Molecular Weight: 963.32 g/mol
• Exact Mass: 962.49
• IUPAC Name: ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene]
• SMILES: C=CC1=C(CCC)C(C)(C)c2cc(-c3c4ccccc4c(-c4cccc(-c5ccc6c7c(ccc6c5)-c5c(c6c(c8ccccc58)CCC=C6)C75C6=C(CCC=C6)c6ccccc65)c4)c4ccccc34)ccc21.CC
• InChI: InChI=1S/C73H56.C2H6/c1-5-20-63-49(6-2)55-39-37-48(43-66(55)72(63,3)4)68-59-30-12-10-28-57(59)67(58-29-11-13-31-60(58)68)47-22-19-21-44(42-47)45-35-38-50-46(41-45)36-40-62-69-56-27-9-7-23-51(56)52-24-8-14-32-61(52)71(69)73(70(50)62)64-33-17-15-25-53(64)54-26-16-18-34-65(54)73;1-2/h6-7,9-15,17-19,21-23,25,27-43H,2,5,8,16,20,24,26H2,1,3-4H3;1-2H3
• InChIKey: QIOFIWQZYBKOII-UHFFFAOYSA-N
• XLogP: 20.75
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.32
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene]?

The IUPAC name of ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene] (CID 145353190) is ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene].

What is the SMILES notation for ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene]?

The canonical SMILES for ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene] is C=CC1=C(CCC)C(C)(C)c2cc(-c3c4ccccc4c(-c4cccc(-c5ccc6c7c(ccc6c5)-c5c(c6c(c8ccccc58)CCC=C6)C75C6=C(CCC=C6)c6ccccc65)c4)c4ccccc34)ccc21.CC.

What is the InChIKey of ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene]?

The InChIKey is QIOFIWQZYBKOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H56.C2H6/c1-5-20-63-49(6-2)55-39-37-48(43-66(55)72(63,3)4)68-59-30-12-10-28-57(59)67(58-29-11-13-31-60(58)68)47-22-19-21-44(42-47)45-35-38-50-46(41-45)36-40-62-69-56-27-9-7-23-51(56)52-24-8-14-32-61(52)71(69)73(70(50)62)64-33-17-15-25-53(64)54-26-16-18-34-65(54)73;1-2/h6-7,9-15,17-19,21-23,25,27-43H,2,5,8,16,20,24,26H2,1,3-4H3;1-2H3.

What are the key properties of ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene]?

ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene] has a molecular weight of 963.32 g/mol, XLogP of 20.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;20'-[3-[10-(1-ethenyl-3,3-dimethyl-2-propylinden-5-yl)anthracen-9-yl]phenyl]spiro[3,4-dihydrofluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,8,10,12,15(24),16,18(23),19,21-undecaene] is sourced from PubChem (CID 145353190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).