1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene

C42H24 — CID 139892613

IUPAC1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
SMILESc1ccc2c(c1)-c1cccc3ccc(-c4ccc(-c5ccc6cccc7c6c5-c5ccccc5-7)c5ccccc45)c-2c13
InChIInChI=1S/C42H24/c1-2-12-28-27(11-1)31(37-21-19-25-9-7-17-33-29-13-3-5-15-35(29)41(37)39(25)33)23-24-32(28)38-22-20-26-10-8-18-34-30-14-4-6-16-36(30)42(38)40(26)34/h1-24H
InChIKeyGKXKRTUBEYTWQW-UHFFFAOYSA-N
MW528.65 g/mol
LogP11.77
Rot. Bonds2

About 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene

1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene (PubChem CID 139892613) has the molecular formula C42H24 and a molecular weight of 528.65 g/mol. Its IUPAC name is 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene.

Molecular Properties

Compound Name1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
PubChem CID139892613
Molecular FormulaC42H24
Molecular Weight528.65 g/mol
Exact Mass528.19
IUPAC Name1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
SMILESc1ccc2c(c1)-c1cccc3ccc(-c4ccc(-c5ccc6cccc7c6c5-c5ccccc5-7)c5ccccc45)c-2c13
InChIInChI=1S/C42H24/c1-2-12-28-27(11-1)31(37-21-19-25-9-7-17-33-29-13-3-5-15-35(29)41(37)39(25)33)23-24-32(28)38-22-20-26-10-8-18-34-30-14-4-6-16-36(30)42(38)40(26)34/h1-24H
InChIKeyGKXKRTUBEYTWQW-UHFFFAOYSA-N
XLogP11.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
CID 166133840
13-pyren-1-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 145350843
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
fluoranthen-1-amine
CID 25756
2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene
CID 166134124
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
6-[5-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)naphthalen-1-yl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
CID 59845176
fluoranthene
CID 139203734
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
ethane;fluoranthene;triphenylene
CID 160720447
undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
CID 140861554

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene?
The IUPAC name of 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene (CID 139892613) is 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene.
What is the SMILES notation for 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene?
The canonical SMILES for 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene is c1ccc2c(c1)-c1cccc3ccc(-c4ccc(-c5ccc6cccc7c6c5-c5ccccc5-7)c5ccccc45)c-2c13.
What is the InChIKey of 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene?
The InChIKey is GKXKRTUBEYTWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24/c1-2-12-28-27(11-1)31(37-21-19-25-9-7-17-33-29-13-3-5-15-35(29)41(37)39(25)33)23-24-32(28)38-22-20-26-10-8-18-34-30-14-4-6-16-36(30)42(38)40(26)34/h1-24H.
What are the key properties of 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene?
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene has a molecular weight of 528.65 g/mol, XLogP of 11.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene is sourced from PubChem (CID 139892613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).