5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole

C56H38P2 — CID 155333270

IUPAC5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole
SMILESCp1c2ccccc2c2c(-c3cccc4c(-c5cc(-c6ccccc6)c6ccccc6c5)c5cccc(-c6cccc7c6c6ccccc6p7C)c5cc34)cccc21
InChIInChI=1S/C56H38P2/c1-57-50-28-10-8-20-45(50)55-41(26-14-30-52(55)57)39-22-12-24-43-48(39)34-49-40(42-27-15-31-53-56(42)46-21-9-11-29-51(46)58(53)2)23-13-25-44(49)54(43)37-32-36-18-6-7-19-38(36)47(33-37)35-16-4-3-5-17-35/h3-34H,1-2H3
InChIKeyAAMVIHMKNMOGIA-UHFFFAOYSA-N
MW772.87 g/mol
LogP17.47
Rot. Bonds4

About 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole

5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole (PubChem CID 155333270) has the molecular formula C56H38P2 and a molecular weight of 772.87 g/mol. Its IUPAC name is 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole.

Molecular Properties

Compound Name5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole
PubChem CID155333270
Molecular FormulaC56H38P2
Molecular Weight772.87 g/mol
Exact Mass772.24
IUPAC Name5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole
SMILESCp1c2ccccc2c2c(-c3cccc4c(-c5cc(-c6ccccc6)c6ccccc6c5)c5cccc(-c6cccc7c6c6ccccc6p7C)c5cc34)cccc21
InChIInChI=1S/C56H38P2/c1-57-50-28-10-8-20-45(50)55-41(26-14-30-52(55)57)39-22-12-24-43-48(39)34-49-40(42-27-15-31-53-56(42)46-21-9-11-29-51(46)58(53)2)23-13-25-44(49)54(43)37-32-36-18-6-7-19-38(36)47(33-37)35-16-4-3-5-17-35/h3-34H,1-2H3
InChIKeyAAMVIHMKNMOGIA-UHFFFAOYSA-N
XLogP17.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.87
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole
CID 155334729
5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole
CID 155333268
6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155335028
9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333072
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333918
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333113
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene
CID 169303156
4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
CID 142721790
10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
CID 173141630
9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 59642822

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole?
The IUPAC name of 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole (CID 155333270) is 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole.
What is the SMILES notation for 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole?
The canonical SMILES for 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole is Cp1c2ccccc2c2c(-c3cccc4c(-c5cc(-c6ccccc6)c6ccccc6c5)c5cccc(-c6cccc7c6c6ccccc6p7C)c5cc34)cccc21.
What is the InChIKey of 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole?
The InChIKey is AAMVIHMKNMOGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38P2/c1-57-50-28-10-8-20-45(50)55-41(26-14-30-52(55)57)39-22-12-24-43-48(39)34-49-40(42-27-15-31-53-56(42)46-21-9-11-29-51(46)58(53)2)23-13-25-44(49)54(43)37-32-36-18-6-7-19-38(36)47(33-37)35-16-4-3-5-17-35/h3-34H,1-2H3.
What are the key properties of 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole?
5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole has a molecular weight of 772.87 g/mol, XLogP of 17.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole is sourced from PubChem (CID 155333270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).