(7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]

C218H148N2 — CID 160561530

About (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]

(7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene] (PubChem CID 160561530) has the molecular formula C218H148N2 and a molecular weight of 2795.60 g/mol. Its IUPAC name is (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene].

Molecular Properties

• Compound Name: (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]
• PubChem CID: 160561530
• Molecular Formula: C218H148N2
• Molecular Weight: 2795.60 g/mol
• Exact Mass: 2793.16
• IUPAC Name: (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]
• SMILES: C/C(=C\C=C1/CC2(c3ccccc31)c1ccccc1-c1cccc3cccc2c13)c1ccc2c3c4c(ccc13)C=CC(c1ccc(-c3ccccc3)cc1)C4=CC2.C1=CC(c2cccc3ccccc23)C2=CCc3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6cccc7cccc4c67)c4cccnc4-5)c4ccc1c2c34.C1=CC(c2ccccc2)/C=C\c2ccc3c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5cccc6cccc4c56)ccc(c3c2)C1.C=C(/C(C)=C/C=C1\CC2(c3ccccc3-c3cccc4cccc2c34)c2cccnc21)c1ccc2c3c1C(=C)CC=C3C(c1ccc(-c3ccccc3)cc1)C=C2
• InChI: InChI=1S/C57H40.C56H41N.C54H33N.C51H34/c1-36(21-22-43-35-57(51-18-7-5-15-46(43)51)52-19-8-6-16-47(52)48-17-9-13-40-14-10-20-53(57)54(40)48)44-31-27-41-30-34-50-45(32-28-42-29-33-49(44)55(41)56(42)50)39-25-23-38(24-26-39)37-11-3-2-4-12-37;1-35(21-23-43-34-56(51-20-11-33-57-55(43)51)49-18-8-7-16-46(49)47-17-9-14-41-15-10-19-50(56)53(41)47)37(3)44-31-28-42-29-32-45(48-30-22-36(2)52(44)54(42)48)40-26-24-39(25-27-40)38-12-5-4-6-13-38;1-2-13-37-32(9-1)10-5-15-39(37)40-26-21-35-22-27-43-38(25-20-34-23-28-44(40)52(35)51(34)43)36-24-29-45-49(31-36)54(48-19-8-30-55-53(45)48)46-17-4-3-14-41(46)42-16-6-11-33-12-7-18-47(54)50(33)42;1-2-11-34(12-3-1)35-13-8-14-36-26-29-39(40-28-24-33(23-25-35)31-44(36)40)38-27-30-48-45(32-38)42-18-5-7-21-47(42)51(48)46-20-6-4-17-41(46)43-19-9-15-37-16-10-22-49(51)50(37)43/h2-29,31-34,45H,30,35H2,1H3;4-21,23-33,45H,2-3,22,34H2,1H3;1-22,24-31,40H,23H2;1-13,15-32,35H,14H2/b36-21+,43-22+;35-21+,43-23+;;13-8?,25-23-
• InChIKey: QZJKYRXBLMNXEC-SADZKDOSSA-N
• XLogP: 55.10
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2795.60
LogP ≤ 5	55.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]?

The IUPAC name of (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene] (CID 160561530) is (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene].

What is the SMILES notation for (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]?

The canonical SMILES for (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene] is C/C(=C\C=C1/CC2(c3ccccc31)c1ccccc1-c1cccc3cccc2c13)c1ccc2c3c4c(ccc13)C=CC(c1ccc(-c3ccccc3)cc1)C4=CC2.C1=CC(c2cccc3ccccc23)C2=CCc3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6cccc7cccc4c67)c4cccnc4-5)c4ccc1c2c34.C1=CC(c2ccccc2)/C=C\c2ccc3c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5cccc6cccc4c56)ccc(c3c2)C1.C=C(/C(C)=C/C=C1\CC2(c3ccccc3-c3cccc4cccc2c34)c2cccnc21)c1ccc2c3c1C(=C)CC=C3C(c1ccc(-c3ccccc3)cc1)C=C2.

What is the InChIKey of (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]?

The InChIKey is QZJKYRXBLMNXEC-SADZKDOSSA-N. The full InChI is InChI=1S/C57H40.C56H41N.C54H33N.C51H34/c1-36(21-22-43-35-57(51-18-7-5-15-46(43)51)52-19-8-6-16-47(52)48-17-9-13-40-14-10-20-53(57)54(40)48)44-31-27-41-30-34-50-45(32-28-42-29-33-49(44)55(41)56(42)50)39-25-23-38(24-26-39)37-11-3-2-4-12-37;1-35(21-23-43-34-56(51-20-11-33-57-55(43)51)49-18-8-7-16-46(49)47-17-9-14-41-15-10-19-50(56)53(41)47)37(3)44-31-28-42-29-32-45(48-30-22-36(2)52(44)54(42)48)40-26-24-39(25-27-40)38-12-5-4-6-13-38;1-2-13-37-32(9-1)10-5-15-39(37)40-26-21-35-22-27-43-38(25-20-34-23-28-44(40)52(35)51(34)43)36-24-29-45-49(31-36)54(48-19-8-30-55-53(45)48)46-17-4-3-14-41(46)42-16-6-11-33-12-7-18-47(54)50(33)42;1-2-11-34(12-3-1)35-13-8-14-36-26-29-39(40-28-24-33(23-25-35)31-44(36)40)38-27-30-48-45(32-38)42-18-5-7-21-47(42)51(48)46-20-6-4-17-41(46)43-19-9-15-37-16-10-22-49(51)50(37)43/h2-29,31-34,45H,30,35H2,1H3;4-21,23-33,45H,2-3,22,34H2,1H3;1-22,24-31,40H,23H2;1-13,15-32,35H,14H2/b36-21+,43-22+;35-21+,43-23+;;13-8?,25-23-.

What are the key properties of (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]?

(7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene] has a molecular weight of 2795.60 g/mol, XLogP of 55.10, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-7-[(2E)-3-methyl-4-[9-methylidene-6-(4-phenylphenyl)-6,8-dihydrophenalen-1-yl]penta-2,4-dienylidene]spiro[6H-cyclopenta[b]pyridine-5,7'-benzo[a]phenalene];7'-(6-naphthalen-1-yl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];(3E)-3-[(E)-3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]but-2-enylidene]spiro[2H-indene-1,7'-benzo[a]phenalene];3'-[(13Z)-12-phenyl-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,9'-fluorene] is sourced from PubChem (CID 160561530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).