6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene

C24H24 — CID 123367160

IUPAC6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
SMILESC1=CCC2CCc3ccc(C4=CCC5CCC=CC5=C4)cc3C2=C1
InChIInChI=1S/C24H24/c1-2-7-20-15-21(13-9-17(20)5-1)22-14-12-19-11-10-18-6-3-4-8-23(18)24(19)16-22/h2-4,7-8,12-18H,1,5-6,9-11H2
InChIKeyNERAPGHRKFMLGO-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.27
Rot. Bonds1

About 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene

6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene (PubChem CID 123367160) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene.

Molecular Properties

Compound Name6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
PubChem CID123367160
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
SMILESC1=CCC2CCc3ccc(C4=CCC5CCC=CC5=C4)cc3C2=C1
InChIInChI=1S/C24H24/c1-2-7-20-15-21(13-9-17(20)5-1)22-14-12-19-11-10-18-6-3-4-8-23(18)24(19)16-22/h2-4,7-8,12-18H,1,5-6,9-11H2
InChIKeyNERAPGHRKFMLGO-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123872795
2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 168740042
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
CID 123175612
1,2,3,6,6a,7-hexahydrochrysene
CID 174873535
9-(5-methylcyclohexa-1,5-dien-1-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123504389
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-[4-[10-(7,8-dihydronaphthalen-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
CID 123757413
3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine
CID 57226040
5,6,9,9a-tetrahydro-1H-carbazole
CID 88903924
5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline
CID 89063900
4-[10-(2,3,11,11a,12,12a-hexahydrobenzo[a]anthracen-4-yl)-2,3-dihydroanthracen-9-yl]-6,6a,7,7a,8,9-hexahydrobenzo[a]anthracene
CID 123445001
7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene
CID 122544055
3-methyl-7,7a-dihydro-1H-indene
CID 90996575

Frequently Asked Questions

What is the IUPAC name of 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene?
The IUPAC name of 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene (CID 123367160) is 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene.
What is the SMILES notation for 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene?
The canonical SMILES for 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene is C1=CCC2CCc3ccc(C4=CCC5CCC=CC5=C4)cc3C2=C1.
What is the InChIKey of 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene?
The InChIKey is NERAPGHRKFMLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-2-7-20-15-21(13-9-17(20)5-1)22-14-12-19-11-10-18-6-3-4-8-23(18)24(19)16-22/h2-4,7-8,12-18H,1,5-6,9-11H2.
What are the key properties of 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene?
6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene has a molecular weight of 312.46 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene is sourced from PubChem (CID 123367160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).