2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene

C268H170 — CID 160542910

IUPAC2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc24)cc1C3(C)C.c1ccc(-c2c3ccccc3c(-c3cc4cc5ccccc5cc4c4ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc3c(cc(-c4c5ccccc5c(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)c4ccccc43)cc2c1.c1ccc2cc3c(cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc43)cc2c1
InChIInChI=1S/C56H40.C48H28.3C42H26.C38H24/c1-55(2)49-24-14-13-19-39(49)46-31-52-47(32-51(46)55)40-26-25-35(30-50(40)56(52,3)4)53-41-20-9-11-22-43(41)54(44-23-12-10-21-42(44)53)48-29-36-27-33-15-5-6-16-34(33)28-45(36)37-17-7-8-18-38(37)48;1-2-11-33-27-43-34(26-32(33)10-1)28-44(36-15-4-3-14-35(36)43)48-39-18-7-5-16-37(39)47(38-17-6-8-19-40(38)48)42-25-23-31-21-20-29-12-9-13-30-22-24-41(42)46(31)45(29)30;1-2-14-29-25-39-30(24-28(29)13-1)26-40(33-18-6-5-17-32(33)39)42-37-21-9-7-19-35(37)41(36-20-8-10-22-38(36)42)34-23-11-15-27-12-3-4-16-31(27)34;2*1-2-12-28-23-31(22-21-27(28)11-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)40-26-32-24-29-13-3-4-14-30(29)25-39(32)33-15-5-6-16-34(33)40;1-2-12-25(13-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-28-22-26-14-4-5-15-27(26)23-35(28)29-16-6-7-17-30(29)36/h5-32H,1-4H3;1-28H;3*1-26H;1-24H
InChIKeyQXALJDXKRQPPKM-UHFFFAOYSA-N
MW3390.31 g/mol
LogP75.69
Rot. Bonds12

About 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene

2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene (PubChem CID 160542910) has the molecular formula C268H170 and a molecular weight of 3390.31 g/mol. Its IUPAC name is 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene.

Molecular Properties

Compound Name2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene
PubChem CID160542910
Molecular FormulaC268H170
Molecular Weight3390.31 g/mol
Exact Mass3387.33
IUPAC Name2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc24)cc1C3(C)C.c1ccc(-c2c3ccccc3c(-c3cc4cc5ccccc5cc4c4ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc3c(cc(-c4c5ccccc5c(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)c4ccccc43)cc2c1.c1ccc2cc3c(cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc43)cc2c1
InChIInChI=1S/C56H40.C48H28.3C42H26.C38H24/c1-55(2)49-24-14-13-19-39(49)46-31-52-47(32-51(46)55)40-26-25-35(30-50(40)56(52,3)4)53-41-20-9-11-22-43(41)54(44-23-12-10-21-42(44)53)48-29-36-27-33-15-5-6-16-34(33)28-45(36)37-17-7-8-18-38(37)48;1-2-11-33-27-43-34(26-32(33)10-1)28-44(36-15-4-3-14-35(36)43)48-39-18-7-5-16-37(39)47(38-17-6-8-19-40(38)48)42-25-23-31-21-20-29-12-9-13-30-22-24-41(42)46(31)45(29)30;1-2-14-29-25-39-30(24-28(29)13-1)26-40(33-18-6-5-17-32(33)39)42-37-21-9-7-19-35(37)41(36-20-8-10-22-38(36)42)34-23-11-15-27-12-3-4-16-31(27)34;2*1-2-12-28-23-31(22-21-27(28)11-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)40-26-32-24-29-13-3-4-14-30(29)25-39(32)33-15-5-6-16-34(33)40;1-2-12-25(13-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-28-22-26-14-4-5-15-27(26)23-35(28)29-16-6-7-17-30(29)36/h5-32H,1-4H3;1-28H;3*1-26H;1-24H
InChIKeyQXALJDXKRQPPKM-UHFFFAOYSA-N
XLogP75.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms268
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003390.31
LogP ≤ 575.69
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'}

Analyze 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene with MolForge

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Related Compounds

9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-bis(4-phenylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;1-(10-phenylanthracen-9-yl)pyrene;2-(10-phenylanthracen-9-yl)triphenylene;9-phenyl-10-(4-phenylphenyl)anthracene
CID 164965575
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412
2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene
CID 123157608
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159441922
2,10-bis(9,9-dimethylfluoren-2-yl)-9-(3-naphthalen-2-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 162026897
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenylanthracene
CID 159919561
10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene
CID 158578384
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;2,10-dinaphthalen-1-yl-9-phenylanthracene;10-naphthalen-1-yl-2,9-diphenylanthracene;10-naphthalen-2-yl-2,9-diphenylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159206127
9-(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 161365610
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159934414

Frequently Asked Questions

What is the IUPAC name of 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene?
The IUPAC name of 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene (CID 160542910) is 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene.
What is the SMILES notation for 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene?
The canonical SMILES for 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc24)cc1C3(C)C.c1ccc(-c2c3ccccc3c(-c3cc4cc5ccccc5cc4c4ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc3c(cc(-c4c5ccccc5c(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)c4ccccc43)cc2c1.c1ccc2cc3c(cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc43)cc2c1.
What is the InChIKey of 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene?
The InChIKey is QXALJDXKRQPPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40.C48H28.3C42H26.C38H24/c1-55(2)49-24-14-13-19-39(49)46-31-52-47(32-51(46)55)40-26-25-35(30-50(40)56(52,3)4)53-41-20-9-11-22-43(41)54(44-23-12-10-21-42(44)53)48-29-36-27-33-15-5-6-16-34(33)28-45(36)37-17-7-8-18-38(37)48;1-2-11-33-27-43-34(26-32(33)10-1)28-44(36-15-4-3-14-35(36)43)48-39-18-7-5-16-37(39)47(38-17-6-8-19-40(38)48)42-25-23-31-21-20-29-12-9-13-30-22-24-41(42)46(31)45(29)30;1-2-14-29-25-39-30(24-28(29)13-1)26-40(33-18-6-5-17-32(33)39)42-37-21-9-7-19-35(37)41(36-20-8-10-22-38(36)42)34-23-11-15-27-12-3-4-16-31(27)34;2*1-2-12-28-23-31(22-21-27(28)11-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)40-26-32-24-29-13-3-4-14-30(29)25-39(32)33-15-5-6-16-34(33)40;1-2-12-25(13-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-28-22-26-14-4-5-15-27(26)23-35(28)29-16-6-7-17-30(29)36/h5-32H,1-4H3;1-28H;3*1-26H;1-24H.
What are the key properties of 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene?
2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene has a molecular weight of 3390.31 g/mol, XLogP of 75.69, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene is sourced from PubChem (CID 160542910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).