5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene

C45H30 — CID 140801823

IUPAC5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)c3ccccc3c21
InChIInChI=1S/C45H30/c1-45(2)42-17-8-7-14-36(42)41-26-39(35-13-5-6-15-38(35)44(41)45)30-21-20-27-22-29(19-18-28(27)23-30)32-24-31-10-9-16-37-33-11-3-4-12-34(33)40(25-32)43(31)37/h3-26H,1-2H3
InChIKeyJYXQGFSGEMFKQS-UHFFFAOYSA-N
MW570.74 g/mol
LogP12.43
Rot. Bonds2

About 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene

5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene (PubChem CID 140801823) has the molecular formula C45H30 and a molecular weight of 570.74 g/mol. Its IUPAC name is 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene.

Molecular Properties

Compound Name5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene
PubChem CID140801823
Molecular FormulaC45H30
Molecular Weight570.74 g/mol
Exact Mass570.23
IUPAC Name5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)c3ccccc3c21
InChIInChI=1S/C45H30/c1-45(2)42-17-8-7-14-36(42)41-26-39(35-13-5-6-15-38(35)44(41)45)30-21-20-27-22-29(19-18-28(27)23-30)32-24-31-10-9-16-37-33-11-3-4-12-34(33)40(25-32)43(31)37/h3-26H,1-2H3
InChIKeyJYXQGFSGEMFKQS-UHFFFAOYSA-N
XLogP12.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene
CID 140801812
3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
CID 130295137
20-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 140710526
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene
CID 140710765
4-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 58402146
21-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 140801754
19-fluoranthen-3-yl-12,12-dimethyl-7-phenanthren-9-ylpentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene
CID 59533053
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
CID 140710807
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene?
The IUPAC name of 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene (CID 140801823) is 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene.
What is the SMILES notation for 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene?
The canonical SMILES for 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene is CC1(C)c2ccccc2-c2cc(-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)c3ccccc3c21.
What is the InChIKey of 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene?
The InChIKey is JYXQGFSGEMFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30/c1-45(2)42-17-8-7-14-36(42)41-26-39(35-13-5-6-15-38(35)44(41)45)30-21-20-27-22-29(19-18-28(27)23-30)32-24-31-10-9-16-37-33-11-3-4-12-34(33)40(25-32)43(31)37/h3-26H,1-2H3.
What are the key properties of 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene?
5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene has a molecular weight of 570.74 g/mol, XLogP of 12.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene is sourced from PubChem (CID 140801823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).