3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene

C58H40 — CID 123930416

IUPAC3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene
SMILESC1=CC2C(C=Cc3ccc(C4=c5ccccc5=C(c5ccc6c7c(cccc57)-c5ccccc5-6)C5C=CC=CC45)cc3)=CC=C(c3cccc4ccccc34)C2C=C1
InChIInChI=1S/C58H40/c1-2-15-41-38(13-1)14-11-24-44(41)47-34-33-39(42-16-3-4-17-43(42)47)30-27-37-28-31-40(32-29-37)56-49-20-7-9-22-51(49)58(52-23-10-8-21-50(52)56)55-36-35-54-46-19-6-5-18-45(46)48-25-12-26-53(55)57(48)54/h1-36,42-43,49,51H
InChIKeyFZYIBYVMVMUAPR-UHFFFAOYSA-N
MW736.96 g/mol
LogP12.81
Rot. Bonds5

About 3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene

3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene (PubChem CID 123930416) has the molecular formula C58H40 and a molecular weight of 736.96 g/mol. Its IUPAC name is 3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene.

Molecular Properties

Compound Name3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene
PubChem CID123930416
Molecular FormulaC58H40
Molecular Weight736.96 g/mol
Exact Mass736.31
IUPAC Name3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene
SMILESC1=CC2C(C=Cc3ccc(C4=c5ccccc5=C(c5ccc6c7c(cccc57)-c5ccccc5-6)C5C=CC=CC45)cc3)=CC=C(c3cccc4ccccc34)C2C=C1
InChIInChI=1S/C58H40/c1-2-15-41-38(13-1)14-11-24-44(41)47-34-33-39(42-16-3-4-17-43(42)47)30-27-37-28-31-40(32-29-37)56-49-20-7-9-22-51(49)58(52-23-10-8-21-50(52)56)55-36-35-54-46-19-6-5-18-45(46)48-25-12-26-53(55)57(48)54/h1-36,42-43,49,51H
InChIKeyFZYIBYVMVMUAPR-UHFFFAOYSA-N
XLogP12.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.96
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-1,2-dihydrofluoranthene
CID 123255682
(4aE,7Z,9Z,12E)-6-methyl-5,12-bis(4-naphthalen-1-ylphenyl)-6,11-dihydrobenzo[10]annulene
CID 140818670
9-(5-hexa-1,3,5-trien-3-yl-3-phenylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-4a,9a-dihydroanthracene
CID 123946931
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene
CID 123876130
3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 171421007
2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene
CID 123508639
(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene
CID 140656633
9-naphthalen-1-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123434532
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123964617
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-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene?
The IUPAC name of 3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene (CID 123930416) is 3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene.
What is the SMILES notation for 3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene?
The canonical SMILES for 3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene is C1=CC2C(C=Cc3ccc(C4=c5ccccc5=C(c5ccc6c7c(cccc57)-c5ccccc5-6)C5C=CC=CC45)cc3)=CC=C(c3cccc4ccccc34)C2C=C1.
What is the InChIKey of 3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene?
The InChIKey is FZYIBYVMVMUAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40/c1-2-15-41-38(13-1)14-11-24-44(41)47-34-33-39(42-16-3-4-17-43(42)47)30-27-37-28-31-40(32-29-37)56-49-20-7-9-22-51(49)58(52-23-10-8-21-50(52)56)55-36-35-54-46-19-6-5-18-45(46)48-25-12-26-53(55)57(48)54/h1-36,42-43,49,51H.
What are the key properties of 3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene?
3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene has a molecular weight of 736.96 g/mol, XLogP of 12.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene is sourced from PubChem (CID 123930416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).