2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene

C144H91NS2 — CID 161381817

IUPAC2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)c6ccccc56)c5ccccc45)c3)s2)cc1.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)c3)s2)cc1
InChIInChI=1S/C50H32S.C48H29N.C46H30S/c1-2-15-34(16-3-1)47-30-31-48(51-47)35-18-12-19-36(32-35)49-42-23-8-10-25-44(42)50(45-26-11-9-24-43(45)49)46-29-28-41(39-21-6-7-22-40(39)46)38-27-13-17-33-14-4-5-20-37(33)38;1-2-13-30(14-3-1)32-27-28-41(34-16-5-4-15-33(32)34)47-39-20-8-6-18-37(39)46(38-19-7-9-21-40(38)47)31-25-26-36-43-23-12-22-42-35-17-10-11-24-44(35)49(48(42)43)45(36)29-31;1-3-14-31(15-4-1)35-26-27-42(37-21-8-7-20-36(35)37)46-40-24-11-9-22-38(40)45(39-23-10-12-25-41(39)46)34-19-13-18-33(30-34)44-29-28-43(47-44)32-16-5-2-6-17-32/h1-32H;1-29H;1-30H
InChIKeyVRUYOXANLCDEAT-UHFFFAOYSA-N
MW1899.45 g/mol
LogP41.54
Rot. Bonds13

About 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene

2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene (PubChem CID 161381817) has the molecular formula C144H91NS2 and a molecular weight of 1899.45 g/mol. Its IUPAC name is 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene.

Molecular Properties

Compound Name2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene
PubChem CID161381817
Molecular FormulaC144H91NS2
Molecular Weight1899.45 g/mol
Exact Mass1897.66
IUPAC Name2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)c6ccccc56)c5ccccc45)c3)s2)cc1.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)c3)s2)cc1
InChIInChI=1S/C50H32S.C48H29N.C46H30S/c1-2-15-34(16-3-1)47-30-31-48(51-47)35-18-12-19-36(32-35)49-42-23-8-10-25-44(42)50(45-26-11-9-24-43(45)49)46-29-28-41(39-21-6-7-22-40(39)46)38-27-13-17-33-14-4-5-20-37(33)38;1-2-13-30(14-3-1)32-27-28-41(34-16-5-4-15-33(32)34)47-39-20-8-6-18-37(39)46(38-19-7-9-21-40(38)47)31-25-26-36-43-23-12-22-42-35-17-10-11-24-44(35)49(48(42)43)45(36)29-31;1-3-14-31(15-4-1)35-26-27-42(37-21-8-7-20-36(35)37)46-40-24-11-9-22-38(40)45(39-23-10-12-25-41(39)46)34-19-13-18-33(30-34)44-29-28-43(47-44)32-16-5-2-6-17-32/h1-32H;1-29H;1-30H
InChIKeyVRUYOXANLCDEAT-UHFFFAOYSA-N
XLogP41.54
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001899.45
LogP ≤ 541.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene with MolForge

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Related Compounds

9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389
4-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 134252656
methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene
CID 157364267
4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 163855838
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 158722566
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 129254628

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene?
The IUPAC name of 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene (CID 161381817) is 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene.
What is the SMILES notation for 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene?
The canonical SMILES for 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)c6ccccc56)c5ccccc45)c3)s2)cc1.c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)c3)s2)cc1.
What is the InChIKey of 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene?
The InChIKey is VRUYOXANLCDEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32S.C48H29N.C46H30S/c1-2-15-34(16-3-1)47-30-31-48(51-47)35-18-12-19-36(32-35)49-42-23-8-10-25-44(42)50(45-26-11-9-24-43(45)49)46-29-28-41(39-21-6-7-22-40(39)46)38-27-13-17-33-14-4-5-20-37(33)38;1-2-13-30(14-3-1)32-27-28-41(34-16-5-4-15-33(32)34)47-39-20-8-6-18-37(39)46(38-19-7-9-21-40(38)47)31-25-26-36-43-23-12-22-42-35-17-10-11-24-44(35)49(48(42)43)45(36)29-31;1-3-14-31(15-4-1)35-26-27-42(37-21-8-7-20-36(35)37)46-40-24-11-9-22-38(40)45(39-23-10-12-25-41(39)46)34-19-13-18-33(30-34)44-29-28-43(47-44)32-16-5-2-6-17-32/h1-32H;1-29H;1-30H.
What are the key properties of 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene?
2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene has a molecular weight of 1899.45 g/mol, XLogP of 41.54, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene is sourced from PubChem (CID 161381817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).