8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene]

C272H181N3 — CID 159034382

About 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene]

8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene] (PubChem CID 159034382) has the molecular formula C272H181N3 and a molecular weight of 3491.46 g/mol. Its IUPAC name is 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene].

Molecular Properties

• Compound Name: 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene]
• PubChem CID: 159034382
• Molecular Formula: C272H181N3
• Molecular Weight: 3491.46 g/mol
• Exact Mass: 3488.43
• IUPAC Name: 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene]
• SMILES: C1=CC(c2ccc(-c3ccccc3)cc2)C2=CCc3ccc(C4=CC=C5C(C4)c4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4ccc1c2c34.C1=CC(c2cccc3ccccc23)C2=CCc3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4c3=C2C1CC=4.C1=CC(c2ccccc2)C2=CCc3ccc(-c4ccc5c(c4)-c4ncccc4C54c5ccccc5-c5cccc6cccc4c56)c4ccc1c2c34.C1=CC2C=CC=C(C3C=Cc4ccc5c(-c6ccc7c(c6)-c6ncccc6C76c7ccccc7-c7cccc8cccc6c78)ccc6c5c4C3=CC6)C2C=C1.C=C/C=C\C(=C)C1C=CCc2ccc(-c3ccc4c(c3)-c3ncccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc(cc23)/C=C\1.c1ccccc1
• InChI: InChI=1S/C57H38.C55H36.C54H35N.C50H31N.C50H35N.C6H6/c1-2-10-35(11-3-1)36-20-22-37(23-21-36)42-29-24-39-27-32-48-43(30-25-40-26-31-47(42)55(39)56(40)48)41-28-33-52-49(34-41)45-15-5-7-18-51(45)57(52)50-17-6-4-14-44(50)46-16-8-12-38-13-9-19-53(57)54(38)46;1-2-14-38-33(10-1)11-7-17-40(38)41-28-23-36-24-29-45-39(27-22-35-25-30-46(41)54(36)53(35)45)37-26-31-50-47(32-37)43-16-4-6-20-49(43)55(50)48-19-5-3-15-42(48)44-18-8-12-34-13-9-21-51(55)52(34)44;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)36-24-29-47-45(31-36)53-49(19-8-30-55-53)54(47)46-17-4-3-14-41(46)42-16-6-11-33-12-7-18-48(54)50(33)42;1-2-9-30(10-3-1)35-23-18-32-21-26-40-36(24-19-33-20-25-39(35)47(32)48(33)40)34-22-27-43-41(29-34)49-45(17-8-28-51-49)50(43)42-15-5-4-13-37(42)38-14-6-11-31-12-7-16-44(50)46(31)38;1-3-4-11-32(2)34-12-7-13-35-24-27-38(39-26-22-33(21-23-34)30-42(35)39)37-25-28-45-43(31-37)49-47(20-10-29-51-49)50(45)44-18-6-5-16-40(44)41-17-8-14-36-15-9-19-46(50)48(36)41;1-2-4-6-5-3-1/h1-25,27-33,42,49H,26,34H2;1-23,26-32,36,41H,24-25H2;1-22,24-32,37,40H,23H2;1-19,21-29,35H,20H2;3-12,14-31,34H,1-2,13H2;1-6H/b;;;;11-4-,12-7?,23-21-
• InChIKey: JVGWEWMLMAKOPB-CWGBINJDSA-N
• XLogP: 65.14
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3491.46
LogP ≤ 5	65.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene]?

The IUPAC name of 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene] (CID 159034382) is 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene].

What is the SMILES notation for 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene]?

The canonical SMILES for 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene] is C1=CC(c2ccc(-c3ccccc3)cc2)C2=CCc3ccc(C4=CC=C5C(C4)c4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4ccc1c2c34.C1=CC(c2cccc3ccccc23)C2=CCc3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4c3=C2C1CC=4.C1=CC(c2ccccc2)C2=CCc3ccc(-c4ccc5c(c4)-c4ncccc4C54c5ccccc5-c5cccc6cccc4c56)c4ccc1c2c34.C1=CC2C=CC=C(C3C=Cc4ccc5c(-c6ccc7c(c6)-c6ncccc6C76c7ccccc7-c7cccc8cccc6c78)ccc6c5c4C3=CC6)C2C=C1.C=C/C=C\C(=C)C1C=CCc2ccc(-c3ccc4c(c3)-c3ncccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc(cc23)/C=C\1.c1ccccc1.

What is the InChIKey of 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene]?

The InChIKey is JVGWEWMLMAKOPB-CWGBINJDSA-N. The full InChI is InChI=1S/C57H38.C55H36.C54H35N.C50H31N.C50H35N.C6H6/c1-2-10-35(11-3-1)36-20-22-37(23-21-36)42-29-24-39-27-32-48-43(30-25-40-26-31-47(42)55(39)56(40)48)41-28-33-52-49(34-41)45-15-5-7-18-51(45)57(52)50-17-6-4-14-44(50)46-16-8-12-38-13-9-19-53(57)54(38)46;1-2-14-38-33(10-1)11-7-17-40(38)41-28-23-36-24-29-45-39(27-22-35-25-30-46(41)54(36)53(35)45)37-26-31-50-47(32-37)43-16-4-6-20-49(43)55(50)48-19-5-3-15-42(48)44-18-8-12-34-13-9-21-51(55)52(34)44;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)36-24-29-47-45(31-36)53-49(19-8-30-55-53)54(47)46-17-4-3-14-41(46)42-16-6-11-33-12-7-18-48(54)50(33)42;1-2-9-30(10-3-1)35-23-18-32-21-26-40-36(24-19-33-20-25-39(35)47(32)48(33)40)34-22-27-43-41(29-34)49-45(17-8-28-51-49)50(43)42-15-5-4-13-37(42)38-14-6-11-31-12-7-16-44(50)46(31)38;1-3-4-11-32(2)34-12-7-13-35-24-27-38(39-26-22-33(21-23-34)30-42(35)39)37-25-28-45-43(31-37)49-47(20-10-29-51-49)50(45)44-18-6-5-16-40(44)41-17-8-14-36-15-9-19-46(50)48(36)41;1-2-4-6-5-3-1/h1-25,27-33,42,49H,26,34H2;1-23,26-32,36,41H,24-25H2;1-22,24-32,37,40H,23H2;1-19,21-29,35H,20H2;3-12,14-31,34H,1-2,13H2;1-6H/b;;;;11-4-,12-7?,23-21-;.

What are the key properties of 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene]?

8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene] has a molecular weight of 3491.46 g/mol, XLogP of 65.14, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8'-[6-(4a,8a-dihydronaphthalen-1-yl)-4,6-dihydropyren-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];benzene;8'-[(13Z)-12-[(3Z)-hexa-1,3,5-trien-2-yl]-5-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4,6,8(16),10,13-heptaenyl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3'-(6-naphthalen-1-yl-4,6,8a,9-tetrahydropyren-1-yl)spiro[benzo[a]phenalene-7,9'-fluorene];8'-(6-phenyl-4,6-dihydropyren-1-yl)spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];3-[6-(4-phenylphenyl)-4,6-dihydropyren-1-yl]spiro[4,4a-dihydrofluorene-9,7'-benzo[a]phenalene] is sourced from PubChem (CID 159034382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).