[4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane

C53H39B — CID 123284021

IUPAC[4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(C=Cc3ccc(B(c4ccccc4)c4ccccc4)cc3)c3ccccc13)c1ccccc21
InChIInChI=1S/C53H39B/c1-53(2)49-28-16-15-27-47(49)52-46-26-14-11-23-42(46)48(35-50(52)53)51-44-24-12-9-21-40(44)43(41-22-10-13-25-45(41)51)34-31-36-29-32-39(33-30-36)54(37-17-5-3-6-18-37)38-19-7-4-8-20-38/h3-35H,1-2H3
InChIKeyLBOSLWUMJRHDGZ-UHFFFAOYSA-N
MW686.71 g/mol
LogP11.81
Rot. Bonds6

About [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane

[4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane (PubChem CID 123284021) has the molecular formula C53H39B and a molecular weight of 686.71 g/mol. Its IUPAC name is [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane.

Molecular Properties

Compound Name[4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane
PubChem CID123284021
Molecular FormulaC53H39B
Molecular Weight686.71 g/mol
Exact Mass686.31
IUPAC Name[4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(C=Cc3ccc(B(c4ccccc4)c4ccccc4)cc3)c3ccccc13)c1ccccc21
InChIInChI=1S/C53H39B/c1-53(2)49-28-16-15-27-47(49)52-46-26-14-11-23-42(46)48(35-50(52)53)51-44-24-12-9-21-40(44)43(41-22-10-13-25-45(41)51)34-31-36-29-32-39(33-30-36)54(37-17-5-3-6-18-37)38-19-7-4-8-20-38/h3-35H,1-2H3
InChIKeyLBOSLWUMJRHDGZ-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.71
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]-N,N-diphenylaniline
CID 88549672
[4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane
CID 91459517
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
19-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724618
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene
CID 59195272
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671
4-[(E)-2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]-N,N-diphenylaniline;[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-diphenylborane;11,11-dimethyl-8-(10-phenylanthracen-9-yl)-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)indeno[2,1-c]isoquinoline;7,7-dimethyl-5-(10-phenylanthracen-9-yl)indeno[2,1-h]quinoline;9-fluoro-7,7-dimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline;9-fluoro-7,7-dimethyl-5-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]indeno[2,1-h]quinoline;9-fluoro-7,7-dimethyl-5-(10-phenylanthracen-9-yl)indeno[2,1-h]quinoline;9-fluoro-7,7-dimethyl-5-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]benzo[c]fluorene;7,7,9-trimethyl-5-(10-phenylanthracen-9-yl)indeno[2,1-h]quinoline
CID 158825460
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390
N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;9,9-dimethyl-N-[4-[(E)-2-(10-naphthalen-1-ylanthracen-9-yl)ethenyl]phenyl]-N-phenylfluoren-2-amine;9-ethenyl-10-naphthalen-1-ylanthracene
CID 158405780

Frequently Asked Questions

What is the IUPAC name of [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane?
The IUPAC name of [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane (CID 123284021) is [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane.
What is the SMILES notation for [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane?
The canonical SMILES for [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane is CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(C=Cc3ccc(B(c4ccccc4)c4ccccc4)cc3)c3ccccc13)c1ccccc21.
What is the InChIKey of [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane?
The InChIKey is LBOSLWUMJRHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39B/c1-53(2)49-28-16-15-27-47(49)52-46-26-14-11-23-42(46)48(35-50(52)53)51-44-24-12-9-21-40(44)43(41-22-10-13-25-45(41)51)34-31-36-29-32-39(33-30-36)54(37-17-5-3-6-18-37)38-19-7-4-8-20-38/h3-35H,1-2H3.
What are the key properties of [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane?
[4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane has a molecular weight of 686.71 g/mol, XLogP of 11.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]ethenyl]phenyl]-diphenylborane is sourced from PubChem (CID 123284021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).