bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene

C264H165O3P — CID 158155029

IUPACbis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene
SMILESO=C(c1ccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)cc1)c1ccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)cc1.O=C(c1cccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)c1)c1cccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)c1.O=P(c1ccc2c(ccc3cc4ccccc4cc32)c1)(c1ccc2c(ccc3cc4ccccc4cc32)c1)c1ccc2c(ccc3cc4ccccc4cc32)c1.c1ccc(-c2ccc3ccc4cc5ccccc5cc4c3c2)cc1.c1ccc2cc(-c3ccc4ccc5cc6ccccc6cc5c4c3)ccc2c1.c1ccc2cc3c(ccc4ccc(-c5cc6ccccc6c6ccccc56)cc43)cc2c1.c1ccc2cc3c(ccc4ccc(-c5cccc6ccccc56)cc43)cc2c1
InChIInChI=1S/C54H33OP.2C49H30O.C32H20.2C28H18.C24H16/c55-56(46-19-22-49-43(28-46)16-13-40-25-34-7-1-4-10-37(34)31-52(40)49,47-20-23-50-44(29-47)17-14-41-26-35-8-2-5-11-38(35)32-53(41)50)48-21-24-51-45(30-48)18-15-42-27-36-9-3-6-12-39(36)33-54(42)51;50-49(43-13-5-11-33(27-43)37-19-21-45-39(25-37)15-17-41-23-31-7-1-3-9-35(31)29-47(41)45)44-14-6-12-34(28-44)38-20-22-46-40(26-38)16-18-42-24-32-8-2-4-10-36(32)30-48(42)46;50-49(33-13-9-31(10-14-33)39-21-23-45-41(27-39)17-19-43-25-35-5-1-3-7-37(35)29-47(43)45)34-15-11-32(12-16-34)40-22-24-46-42(28-40)18-20-44-26-36-6-2-4-8-38(36)30-48(44)46;1-2-8-23-18-32-25(17-22(23)7-1)15-13-21-14-16-26(20-30(21)32)31-19-24-9-3-4-10-27(24)28-11-5-6-12-29(28)31;1-2-8-22-17-28-23(16-21(22)7-1)14-12-20-13-15-24(18-27(20)28)26-11-5-9-19-6-3-4-10-25(19)26;1-2-6-21-15-24(12-9-19(21)5-1)25-13-10-20-11-14-26-16-22-7-3-4-8-23(22)17-28(26)27(20)18-25;1-2-6-17(7-3-1)21-12-10-18-11-13-22-14-19-8-4-5-9-20(19)15-24(22)23(18)16-21/h1-33H;2*1-30H;1-20H;2*1-18H;1-16H
InChIKeyFVONQSCWYOKFHG-UHFFFAOYSA-N
MW3416.19 g/mol
LogP71.91
Rot. Bonds15

About bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene

bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene (PubChem CID 158155029) has the molecular formula C264H165O3P and a molecular weight of 3416.19 g/mol. Its IUPAC name is bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene.

Molecular Properties

Compound Namebis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene
PubChem CID158155029
Molecular FormulaC264H165O3P
Molecular Weight3416.19 g/mol
Exact Mass3413.25
IUPAC Namebis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene
SMILESO=C(c1ccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)cc1)c1ccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)cc1.O=C(c1cccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)c1)c1cccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)c1.O=P(c1ccc2c(ccc3cc4ccccc4cc32)c1)(c1ccc2c(ccc3cc4ccccc4cc32)c1)c1ccc2c(ccc3cc4ccccc4cc32)c1.c1ccc(-c2ccc3ccc4cc5ccccc5cc4c3c2)cc1.c1ccc2cc(-c3ccc4ccc5cc6ccccc6cc5c4c3)ccc2c1.c1ccc2cc3c(ccc4ccc(-c5cc6ccccc6c6ccccc56)cc43)cc2c1.c1ccc2cc3c(ccc4ccc(-c5cccc6ccccc56)cc43)cc2c1
InChIInChI=1S/C54H33OP.2C49H30O.C32H20.2C28H18.C24H16/c55-56(46-19-22-49-43(28-46)16-13-40-25-34-7-1-4-10-37(34)31-52(40)49,47-20-23-50-44(29-47)17-14-41-26-35-8-2-5-11-38(35)32-53(41)50)48-21-24-51-45(30-48)18-15-42-27-36-9-3-6-12-39(36)33-54(42)51;50-49(43-13-5-11-33(27-43)37-19-21-45-39(25-37)15-17-41-23-31-7-1-3-9-35(31)29-47(41)45)44-14-6-12-34(28-44)38-20-22-46-40(26-38)16-18-42-24-32-8-2-4-10-36(32)30-48(42)46;50-49(33-13-9-31(10-14-33)39-21-23-45-41(27-39)17-19-43-25-35-5-1-3-7-37(35)29-47(43)45)34-15-11-32(12-16-34)40-22-24-46-42(28-40)18-20-44-26-36-6-2-4-8-38(36)30-48(44)46;1-2-8-23-18-32-25(17-22(23)7-1)15-13-21-14-16-26(20-30(21)32)31-19-24-9-3-4-10-27(24)28-11-5-6-12-29(28)31;1-2-8-22-17-28-23(16-21(22)7-1)14-12-20-13-15-24(18-27(20)28)26-11-5-9-19-6-3-4-10-25(19)26;1-2-6-21-15-24(12-9-19(21)5-1)25-13-10-20-11-14-26-16-22-7-3-4-8-23(22)17-28(26)27(20)18-25;1-2-6-17(7-3-1)21-12-10-18-11-13-22-14-19-8-4-5-9-20(19)15-24(22)23(18)16-21/h1-33H;2*1-30H;1-20H;2*1-18H;1-16H
InChIKeyFVONQSCWYOKFHG-UHFFFAOYSA-N
XLogP71.91
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms268
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003416.19
LogP ≤ 571.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene with MolForge

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Related Compounds

1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)benzo[a]anthracene;4-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)benzo[a]anthracene;4-[9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene;4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 162211913
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[a]anthracene
CID 118672810
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046
9,10-bis(2-phenylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-3-yl-10-phenylanthracene;9-(3-phenanthren-9-ylphenyl)-10-phenylanthracene;9-(4-phenanthren-9-ylphenyl)-10-phenylanthracene;9-(2-phenylphenyl)-10-(3-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 160536596
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
4-[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 156676923
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471

Frequently Asked Questions

What is the IUPAC name of bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene?
The IUPAC name of bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene (CID 158155029) is bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene.
What is the SMILES notation for bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene?
The canonical SMILES for bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene is O=C(c1ccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)cc1)c1ccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)cc1.O=C(c1cccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)c1)c1cccc(-c2ccc3c(ccc4cc5ccccc5cc43)c2)c1.O=P(c1ccc2c(ccc3cc4ccccc4cc32)c1)(c1ccc2c(ccc3cc4ccccc4cc32)c1)c1ccc2c(ccc3cc4ccccc4cc32)c1.c1ccc(-c2ccc3ccc4cc5ccccc5cc4c3c2)cc1.c1ccc2cc(-c3ccc4ccc5cc6ccccc6cc5c4c3)ccc2c1.c1ccc2cc3c(ccc4ccc(-c5cc6ccccc6c6ccccc56)cc43)cc2c1.c1ccc2cc3c(ccc4ccc(-c5cccc6ccccc56)cc43)cc2c1.
What is the InChIKey of bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene?
The InChIKey is FVONQSCWYOKFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33OP.2C49H30O.C32H20.2C28H18.C24H16/c55-56(46-19-22-49-43(28-46)16-13-40-25-34-7-1-4-10-37(34)31-52(40)49,47-20-23-50-44(29-47)17-14-41-26-35-8-2-5-11-38(35)32-53(41)50)48-21-24-51-45(30-48)18-15-42-27-36-9-3-6-12-39(36)33-54(42)51;50-49(43-13-5-11-33(27-43)37-19-21-45-39(25-37)15-17-41-23-31-7-1-3-9-35(31)29-47(41)45)44-14-6-12-34(28-44)38-20-22-46-40(26-38)16-18-42-24-32-8-2-4-10-36(32)30-48(42)46;50-49(33-13-9-31(10-14-33)39-21-23-45-41(27-39)17-19-43-25-35-5-1-3-7-37(35)29-47(43)45)34-15-11-32(12-16-34)40-22-24-46-42(28-40)18-20-44-26-36-6-2-4-8-38(36)30-48(44)46;1-2-8-23-18-32-25(17-22(23)7-1)15-13-21-14-16-26(20-30(21)32)31-19-24-9-3-4-10-27(24)28-11-5-6-12-29(28)31;1-2-8-22-17-28-23(16-21(22)7-1)14-12-20-13-15-24(18-27(20)28)26-11-5-9-19-6-3-4-10-25(19)26;1-2-6-21-15-24(12-9-19(21)5-1)25-13-10-20-11-14-26-16-22-7-3-4-8-23(22)17-28(26)27(20)18-25;1-2-6-17(7-3-1)21-12-10-18-11-13-22-14-19-8-4-5-9-20(19)15-24(22)23(18)16-21/h1-33H;2*1-30H;1-20H;2*1-18H;1-16H.
What are the key properties of bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene?
bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene has a molecular weight of 3416.19 g/mol, XLogP of 71.91, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-benzo[a]anthracen-3-ylphenyl)methanone;bis(4-benzo[a]anthracen-3-ylphenyl)methanone;3-bis(benzo[a]anthracen-3-yl)phosphorylbenzo[a]anthracene;2-naphthalen-1-ylbenzo[a]anthracene;2-naphthalen-2-ylbenzo[a]anthracene;2-phenanthren-9-ylbenzo[a]anthracene;2-phenylbenzo[a]anthracene is sourced from PubChem (CID 158155029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).