5,7-di(fluoranthen-3-yl)-1H-indole

C40H23N — CID 59728642

IUPAC5,7-di(fluoranthen-3-yl)-1H-indole
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5[nH]ccc5c4)ccc-2c13
InChIInChI=1S/C40H23N/c1-3-9-28-26(7-1)32-12-5-11-31-25(15-17-35(28)38(31)32)24-21-23-19-20-41-40(23)37(22-24)30-16-18-36-29-10-4-2-8-27(29)33-13-6-14-34(30)39(33)36/h1-22,41H
InChIKeyPVUYSMSCKAJGLW-UHFFFAOYSA-N
MW517.63 g/mol
LogP11.10
Rot. Bonds2

About 5,7-di(fluoranthen-3-yl)-1H-indole

5,7-di(fluoranthen-3-yl)-1H-indole (PubChem CID 59728642) has the molecular formula C40H23N and a molecular weight of 517.63 g/mol. Its IUPAC name is 5,7-di(fluoranthen-3-yl)-1H-indole.

Molecular Properties

Compound Name5,7-di(fluoranthen-3-yl)-1H-indole
PubChem CID59728642
Molecular FormulaC40H23N
Molecular Weight517.63 g/mol
Exact Mass517.18
IUPAC Name5,7-di(fluoranthen-3-yl)-1H-indole
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5[nH]ccc5c4)ccc-2c13
InChIInChI=1S/C40H23N/c1-3-9-28-26(7-1)32-12-5-11-31-25(15-17-35(28)38(31)32)24-21-23-19-20-41-40(23)37(22-24)30-16-18-36-29-10-4-2-8-27(29)33-13-6-14-34(30)39(33)36/h1-22,41H
InChIKeyPVUYSMSCKAJGLW-UHFFFAOYSA-N
XLogP11.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 511.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59524163
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
3-(9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 58988796
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
5,13-di(fluoranthen-3-yl)pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156188
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129

Frequently Asked Questions

What is the IUPAC name of 5,7-di(fluoranthen-3-yl)-1H-indole?
The IUPAC name of 5,7-di(fluoranthen-3-yl)-1H-indole (CID 59728642) is 5,7-di(fluoranthen-3-yl)-1H-indole.
What is the SMILES notation for 5,7-di(fluoranthen-3-yl)-1H-indole?
The canonical SMILES for 5,7-di(fluoranthen-3-yl)-1H-indole is c1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5[nH]ccc5c4)ccc-2c13.
What is the InChIKey of 5,7-di(fluoranthen-3-yl)-1H-indole?
The InChIKey is PVUYSMSCKAJGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N/c1-3-9-28-26(7-1)32-12-5-11-31-25(15-17-35(28)38(31)32)24-21-23-19-20-41-40(23)37(22-24)30-16-18-36-29-10-4-2-8-27(29)33-13-6-14-34(30)39(33)36/h1-22,41H.
What are the key properties of 5,7-di(fluoranthen-3-yl)-1H-indole?
5,7-di(fluoranthen-3-yl)-1H-indole has a molecular weight of 517.63 g/mol, XLogP of 11.10, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(fluoranthen-3-yl)-1H-indole is sourced from PubChem (CID 59728642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).