butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

C58H43N — CID 143708190

IUPACbutane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
SMILESCCCC.Cc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)nc4cccc-3c24)cc1
InChIInChI=1S/C54H33N.C4H10/c1-32-22-24-33(25-23-32)36-26-27-37-39-19-11-21-47-52(39)46(45(37)30-36)31-48(55-47)38-28-29-44-51-40(38)18-10-20-43(51)53-49(34-12-4-2-5-13-34)41-16-8-9-17-42(41)50(54(44)53)35-14-6-3-7-15-35;1-3-4-2/h2-31H,1H3;3-4H2,1-2H3
InChIKeyPDCSKEVBQLPRSS-UHFFFAOYSA-N
MW753.99 g/mol
LogP16.62
Rot. Bonds5

About butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (PubChem CID 143708190) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.

Molecular Properties

Compound Namebutane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
PubChem CID143708190
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC Namebutane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
SMILESCCCC.Cc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)nc4cccc-3c24)cc1
InChIInChI=1S/C54H33N.C4H10/c1-32-22-24-33(25-23-32)36-26-27-37-39-19-11-21-47-52(39)46(45(37)30-36)31-48(55-47)38-28-29-44-51-40(38)18-10-20-43(51)53-49(34-12-4-2-5-13-34)41-16-8-9-17-42(41)50(54(44)53)35-14-6-3-7-15-35;1-3-4-2/h2-31H,1H3;3-4H2,1-2H3
InChIKeyPDCSKEVBQLPRSS-UHFFFAOYSA-N
XLogP16.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene with MolForge

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Related Compounds

7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 59326163
4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175
3-(3-phenylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621439
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
ethane;12-(4-methylphenyl)-4-[12-(4-methylphenyl)-7-(2-phenylphenyl)benzo[k]fluoranthen-4-yl]-7-(2-phenylphenyl)benzo[k]fluoranthene;propane
CID 143743322
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene
CID 143240053
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
CID 59326181
3-(1-methylfluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58390229
3-(1,5-dimethylfluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58390159
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774

Frequently Asked Questions

What is the IUPAC name of butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The IUPAC name of butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (CID 143708190) is butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.
What is the SMILES notation for butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The canonical SMILES for butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is CCCC.Cc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)nc4cccc-3c24)cc1.
What is the InChIKey of butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The InChIKey is PDCSKEVBQLPRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N.C4H10/c1-32-22-24-33(25-23-32)36-26-27-37-39-19-11-21-47-52(39)46(45(37)30-36)31-48(55-47)38-28-29-44-51-40(38)18-10-20-43(51)53-49(34-12-4-2-5-13-34)41-16-8-9-17-42(41)50(54(44)53)35-14-6-3-7-15-35;1-3-4-2/h2-31H,1H3;3-4H2,1-2H3.
What are the key properties of butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene has a molecular weight of 753.99 g/mol, XLogP of 16.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-(4-methylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is sourced from PubChem (CID 143708190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).