1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole

C63H40N2P2 — CID 155333584

IUPAC1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2c3cccc(-c4cccc5c4c4ccccc4p5-c4ccccc4)c3cc3c(-c4cccc5c4c4ccccc4p5-c4ccccc4)cccc23)cc1
InChIInChI=1S/C63H40N2P2/c1-4-20-41(21-5-1)63-64-54-34-12-13-35-55(54)65(63)62-48-32-16-28-44(46-30-18-38-58-60(46)50-26-10-14-36-56(50)66(58)42-22-6-2-7-23-42)52(48)40-53-45(29-17-33-49(53)62)47-31-19-39-59-61(47)51-27-11-15-37-57(51)67(59)43-24-8-3-9-25-43/h1-40H
InChIKeyDYZYDMCCHYIWRG-UHFFFAOYSA-N
MW886.98 g/mol
LogP18.90
Rot. Bonds6

About 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole

1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole (PubChem CID 155333584) has the molecular formula C63H40N2P2 and a molecular weight of 886.98 g/mol. Its IUPAC name is 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
PubChem CID155333584
Molecular FormulaC63H40N2P2
Molecular Weight886.98 g/mol
Exact Mass886.27
IUPAC Name1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2c3cccc(-c4cccc5c4c4ccccc4p5-c4ccccc4)c3cc3c(-c4cccc5c4c4ccccc4p5-c4ccccc4)cccc23)cc1
InChIInChI=1S/C63H40N2P2/c1-4-20-41(21-5-1)63-64-54-34-12-13-35-55(54)65(63)62-48-32-16-28-44(46-30-18-38-58-60(46)50-26-10-14-36-56(50)66(58)42-22-6-2-7-23-42)52(48)40-53-45(29-17-33-49(53)62)47-31-19-39-59-61(47)51-27-11-15-37-57(51)67(59)43-24-8-3-9-25-43/h1-40H
InChIKeyDYZYDMCCHYIWRG-UHFFFAOYSA-N
XLogP18.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.98
LogP ≤ 518.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
CID 159989669
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
CID 166510005
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 148932878
1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole
CID 67891713
2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole
CID 118011357
1-[3-(6,12-dinaphthalen-1-ylchrysen-2-yl)phenyl]-2-phenylbenzimidazole
CID 89280025
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-2-phenylbenzimidazole
CID 169071962
3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 88866647
9-methyl-4-(2-phenylbenzimidazol-1-yl)-1,3-di(propan-2-yl)carbazole
CID 58400928
1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412
4-[4,5-bis(5H-benzo[b][1]benzogermol-1-yl)anthracen-9-yl]-5,5-diphenylbenzo[b][1]benzosilole;1-[4,5-bis(5H-benzo[b][1]benzogermol-1-yl)anthracen-9-yl]-9-phenylcarbazole;7-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-ethyl-1-phenylbenzimidazole
CID 158705531
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole (CID 155333584) is 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2c3cccc(-c4cccc5c4c4ccccc4p5-c4ccccc4)c3cc3c(-c4cccc5c4c4ccccc4p5-c4ccccc4)cccc23)cc1.
What is the InChIKey of 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole?
The InChIKey is DYZYDMCCHYIWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2P2/c1-4-20-41(21-5-1)63-64-54-34-12-13-35-55(54)65(63)62-48-32-16-28-44(46-30-18-38-58-60(46)50-26-10-14-36-56(50)66(58)42-22-6-2-7-23-42)52(48)40-53-45(29-17-33-49(53)62)47-31-19-39-59-61(47)51-27-11-15-37-57(51)67(59)43-24-8-3-9-25-43/h1-40H.
What are the key properties of 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole?
1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole has a molecular weight of 886.98 g/mol, XLogP of 18.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 155333584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).