7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene

C24H24 — CID 123872795

IUPAC7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
SMILESC1=CCC2CCc3cc(C4=CC5=C(C=CCC5)CC4)ccc3C2=C1
InChIInChI=1S/C24H24/c1-2-7-19-15-20(11-9-17(19)5-1)21-13-14-24-22(16-21)12-10-18-6-3-4-8-23(18)24/h1,3-5,8,13-16,18H,2,6-7,9-12H2
InChIKeyXPKWMZZTDIIVNI-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.42
Rot. Bonds1

About 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene

7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene (PubChem CID 123872795) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene.

Molecular Properties

Compound Name7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
PubChem CID123872795
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
SMILESC1=CCC2CCc3cc(C4=CC5=C(C=CCC5)CC4)ccc3C2=C1
InChIInChI=1S/C24H24/c1-2-7-19-15-20(11-9-17(19)5-1)21-13-14-24-22(16-21)12-10-18-6-3-4-8-23(18)24/h1,3-5,8,13-16,18H,2,6-7,9-12H2
InChIKeyXPKWMZZTDIIVNI-UHFFFAOYSA-N
XLogP6.42
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 ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123367160
12-(1,7,8,8a-tetrahydronaphthalen-1-yl)-6-(7,8-dihydronaphthalen-1-yl)-3-[6-(3,4,7,8-tetrahydronaphthalen-2-yl)-7,8-dihydronaphthalen-2-yl]-1,2,10,10a-tetrahydrochrysene
CID 91058968
9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene
CID 168834157
1,2,3,6,6a,7-hexahydrochrysene
CID 174873535
5,6,9,9a-tetrahydro-1H-carbazole
CID 88903924
3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride
CID 144971731
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
10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene
CID 123512753
2'-(2-buta-1,3-dienyl-1-methylspiro[3a,4-dihydroindene-3,9'-5,6-dihydrofluorene]-2'-yl)-4-methylspiro[1,4,4a,9a-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]
CID 123432459
6-(1,2-dihydronaphthalen-1-yl)-8-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-12-(1,2,5,6-tetrahydronaphthalen-1-yl)-1,9,10,12a-tetrahydrochrysene
CID 90732347
N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030270
2-[10-[3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracen-2-yl]-9,10-dinaphthalen-2-ylanthracene
CID 72556064

Frequently Asked Questions

What is the IUPAC name of 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene?
The IUPAC name of 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene (CID 123872795) is 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene.
What is the SMILES notation for 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene?
The canonical SMILES for 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene is C1=CCC2CCc3cc(C4=CC5=C(C=CCC5)CC4)ccc3C2=C1.
What is the InChIKey of 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene?
The InChIKey is XPKWMZZTDIIVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-2-7-19-15-20(11-9-17(19)5-1)21-13-14-24-22(16-21)12-10-18-6-3-4-8-23(18)24/h1,3-5,8,13-16,18H,2,6-7,9-12H2.
What are the key properties of 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene?
7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene has a molecular weight of 312.46 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene is sourced from PubChem (CID 123872795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).