3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene

C50H30 — CID 58988846

IUPAC3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
SMILESc1ccc2cc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)c5cccc-4c35)ccc2c1
InChIInChI=1S/C50H30/c1-4-13-34-28-37(23-20-31(34)10-1)40-26-27-45-48-41(40)18-9-19-44(48)49-46(38-24-21-32-11-2-5-14-35(32)29-38)42-16-7-8-17-43(42)47(50(45)49)39-25-22-33-12-3-6-15-36(33)30-39/h1-30H
InChIKeyVWVJKFWNAQHRDY-UHFFFAOYSA-N
MW630.79 g/mol
LogP14.10
Rot. Bonds3

About 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene

3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene (PubChem CID 58988846) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene.

Molecular Properties

Compound Name3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
PubChem CID58988846
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
SMILESc1ccc2cc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)c5cccc-4c35)ccc2c1
InChIInChI=1S/C50H30/c1-4-13-34-28-37(23-20-31(34)10-1)40-26-27-45-48-41(40)18-9-19-44(48)49-46(38-24-21-32-11-2-5-14-35(32)29-38)42-16-7-8-17-43(42)47(50(45)49)39-25-22-33-12-3-6-15-36(33)30-39/h1-30H
InChIKeyVWVJKFWNAQHRDY-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
7,12-bis(4-methoxyphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 71105856
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
4-[3-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-3-yl)phenyl]benzonitrile
CID 70847201
7,8,9,10-tetraphenyl-3-[7-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 59805110
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 161027167
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105

Frequently Asked Questions

What is the IUPAC name of 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene?
The IUPAC name of 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene (CID 58988846) is 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene.
What is the SMILES notation for 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene?
The canonical SMILES for 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene is c1ccc2cc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)c5cccc-4c35)ccc2c1.
What is the InChIKey of 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene?
The InChIKey is VWVJKFWNAQHRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-4-13-34-28-37(23-20-31(34)10-1)40-26-27-45-48-41(40)18-9-19-44(48)49-46(38-24-21-32-11-2-5-14-35(32)29-38)42-16-7-8-17-43(42)47(50(45)49)39-25-22-33-12-3-6-15-36(33)30-39/h1-30H.
What are the key properties of 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene?
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene has a molecular weight of 630.79 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene is sourced from PubChem (CID 58988846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).