9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene

C216H166 — CID 159791861

IUPAC9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene
SMILESC=C/C=C\c1ccccc1/C=C\C(=C)C(=C)/C=C\C(=C)c1c2cc(C(C)(C)C)ccc2c(-c2ccc3ccccc3c2)c2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(-c3cccc(-c4cccc5ccccc45)c3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c2c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)cc3)c3ccccc23)c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc7ccc8ccccc8c7c6)cc5)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C58H48.C56H36.C52H50.C50H32/c1-57(2,3)45-29-32-52-53(35-45)55(40-24-21-37(22-25-40)41-27-30-50-43(33-41)26-23-39-14-8-10-19-48(39)50)51-31-28-46(58(4,5)6)36-54(51)56(52)44-17-11-16-42(34-44)49-20-12-15-38-13-7-9-18-47(38)49;1-3-16-47-40(11-1)13-10-22-49(47)45-14-9-15-46(35-45)56-52-20-7-5-18-50(52)55(51-19-6-8-21-53(51)56)43-32-27-38(28-33-43)37-23-25-39(26-24-37)44-34-31-42-30-29-41-12-2-4-17-48(41)54(42)36-44;1-11-12-17-38-18-13-14-19-39(38)25-24-36(3)35(2)22-23-37(4)49-45-30-28-44(52(8,9)10)34-48(45)50(42-27-26-40-20-15-16-21-41(40)32-42)46-31-29-43(33-47(46)49)51(5,6)7;1-2-11-40-31-42(30-23-33(40)9-1)50-46-15-7-5-13-44(46)49(45-14-6-8-16-47(45)50)39-27-21-35(22-28-39)34-17-19-36(20-18-34)41-29-26-38-25-24-37-10-3-4-12-43(37)48(38)32-41/h7-36H,1-6H3;1-36H;11-34H,1-4H2,5-10H3;1-32H/b;;17-12-,23-22-,25-24-;
InChIKeyNIQVDLPPAKKEIN-NICXCFDESA-N
MW2761.70 g/mol
LogP61.63
Rot. Bonds22

About 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene

9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene (PubChem CID 159791861) has the molecular formula C216H166 and a molecular weight of 2761.70 g/mol. Its IUPAC name is 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene
PubChem CID159791861
Molecular FormulaC216H166
Molecular Weight2761.70 g/mol
Exact Mass2759.30
IUPAC Name9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene
SMILESC=C/C=C\c1ccccc1/C=C\C(=C)C(=C)/C=C\C(=C)c1c2cc(C(C)(C)C)ccc2c(-c2ccc3ccccc3c2)c2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(-c3cccc(-c4cccc5ccccc45)c3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c2c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)cc3)c3ccccc23)c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc7ccc8ccccc8c7c6)cc5)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C58H48.C56H36.C52H50.C50H32/c1-57(2,3)45-29-32-52-53(35-45)55(40-24-21-37(22-25-40)41-27-30-50-43(33-41)26-23-39-14-8-10-19-48(39)50)51-31-28-46(58(4,5)6)36-54(51)56(52)44-17-11-16-42(34-44)49-20-12-15-38-13-7-9-18-47(38)49;1-3-16-47-40(11-1)13-10-22-49(47)45-14-9-15-46(35-45)56-52-20-7-5-18-50(52)55(51-19-6-8-21-53(51)56)43-32-27-38(28-33-43)37-23-25-39(26-24-37)44-34-31-42-30-29-41-12-2-4-17-48(41)54(42)36-44;1-11-12-17-38-18-13-14-19-39(38)25-24-36(3)35(2)22-23-37(4)49-45-30-28-44(52(8,9)10)34-48(45)50(42-27-26-40-20-15-16-21-41(40)32-42)46-31-29-43(33-47(46)49)51(5,6)7;1-2-11-40-31-42(30-23-33(40)9-1)50-46-15-7-5-13-44(46)49(45-14-6-8-16-47(45)50)39-27-21-35(22-28-39)34-17-19-36(20-18-34)41-29-26-38-25-24-37-10-3-4-12-43(37)48(38)32-41/h7-36H,1-6H3;1-36H;11-34H,1-4H2,5-10H3;1-32H/b;;17-12-,23-22-,25-24-;
InChIKeyNIQVDLPPAKKEIN-NICXCFDESA-N
XLogP61.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002761.70
LogP ≤ 561.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene with MolForge

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Related Compounds

10-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-9-naphthalen-2-yl-2-phenylanthracene
CID 58194233
2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548
2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene
CID 159245455
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157283651
2-tert-butyl-9-naphthalen-2-yl-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965769
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-yl-2-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 161266075
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960

Frequently Asked Questions

What is the IUPAC name of 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene?
The IUPAC name of 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene (CID 159791861) is 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene?
The canonical SMILES for 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene is C=C/C=C\c1ccccc1/C=C\C(=C)C(=C)/C=C\C(=C)c1c2cc(C(C)(C)C)ccc2c(-c2ccc3ccccc3c2)c2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(-c3cccc(-c4cccc5ccccc45)c3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c2c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)cc3)c3ccccc23)c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc7ccc8ccccc8c7c6)cc5)cc4)c4ccccc34)ccc2c1.
What is the InChIKey of 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene?
The InChIKey is NIQVDLPPAKKEIN-NICXCFDESA-N. The full InChI is InChI=1S/C58H48.C56H36.C52H50.C50H32/c1-57(2,3)45-29-32-52-53(35-45)55(40-24-21-37(22-25-40)41-27-30-50-43(33-41)26-23-39-14-8-10-19-48(39)50)51-31-28-46(58(4,5)6)36-54(51)56(52)44-17-11-16-42(34-44)49-20-12-15-38-13-7-9-18-47(38)49;1-3-16-47-40(11-1)13-10-22-49(47)45-14-9-15-46(35-45)56-52-20-7-5-18-50(52)55(51-19-6-8-21-53(51)56)43-32-27-38(28-33-43)37-23-25-39(26-24-37)44-34-31-42-30-29-41-12-2-4-17-48(41)54(42)36-44;1-11-12-17-38-18-13-14-19-39(38)25-24-36(3)35(2)22-23-37(4)49-45-30-28-44(52(8,9)10)34-48(45)50(42-27-26-40-20-15-16-21-41(40)32-42)46-31-29-43(33-47(46)49)51(5,6)7;1-2-11-40-31-42(30-23-33(40)9-1)50-46-15-7-5-13-44(46)49(45-14-6-8-16-47(45)50)39-27-21-35(22-28-39)34-17-19-36(20-18-34)41-29-26-38-25-24-37-10-3-4-12-43(37)48(38)32-41/h7-36H,1-6H3;1-36H;11-34H,1-4H2,5-10H3;1-32H/b;;17-12-,23-22-,25-24-;.
What are the key properties of 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene?
9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene has a molecular weight of 2761.70 g/mol, XLogP of 61.63, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-2,6-ditert-butyl-10-naphthalen-2-ylanthracene;2,6-ditert-butyl-9-(3-naphthalen-1-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[4-(4-phenanthren-3-ylphenyl)phenyl]anthracene is sourced from PubChem (CID 159791861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).