9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene

C34H32 — CID 123175612

IUPAC9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
SMILESC1=CCC2CCC(c3c4c(c(C5=CC=C6C=CCCC6C5)c5ccccc35)=CCCC=4)=CC2=C1
InChIInChI=1S/C34H32/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-3,5,7,10-11,13-16,18,20-21,23,26H,4,6,8-9,12,17,19,22H2
InChIKeyNOYJBPOURFBQIL-UHFFFAOYSA-N
MW440.63 g/mol
LogP7.55
Rot. Bonds2

About 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene

9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene (PubChem CID 123175612) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene.

Molecular Properties

Compound Name9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
PubChem CID123175612
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
SMILESC1=CCC2CCC(c3c4c(c(C5=CC=C6C=CCCC6C5)c5ccccc35)=CCCC=4)=CC2=C1
InChIInChI=1S/C34H32/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-3,5,7,10-11,13-16,18,20-21,23,26H,4,6,8-9,12,17,19,22H2
InChIKeyNOYJBPOURFBQIL-UHFFFAOYSA-N
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-10-(6,7-dihydronaphthalen-1-yl)anthracene
CID 123406834
3-cyclohexa-2,4-dien-1-yl-2-[6-[10-[6-(10-methyl-2,3-dihydroanthracen-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-2,3-dihydroanthracen-9-yl]-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,2-dihydrobenzimidazole
CID 89364405
9-(4a,8a-dihydronaphthalen-1-yl)-10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracene
CID 123320771
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
3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine
CID 170044712
10-[9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-6-phenothiazin-10-yl-10-(4-phenylphenyl)anthracen-2-yl]phenothiazine
CID 89111231
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
9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene
CID 123176490
6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123367160
6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene
CID 163472427
5-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-9,9-dimethyl-16-thiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,7,11,13,15(23),17,19,21-decaene
CID 163559245
6,12-bis[4-(1,7,8,8a-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-4a,4b,5,12a-tetrahydrochrysene
CID 123238972

Frequently Asked Questions

What is the IUPAC name of 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene?
The IUPAC name of 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene (CID 123175612) is 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene.
What is the SMILES notation for 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene?
The canonical SMILES for 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene is C1=CCC2CCC(c3c4c(c(C5=CC=C6C=CCCC6C5)c5ccccc35)=CCCC=4)=CC2=C1.
What is the InChIKey of 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene?
The InChIKey is NOYJBPOURFBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-3,5,7,10-11,13-16,18,20-21,23,26H,4,6,8-9,12,17,19,22H2.
What are the key properties of 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene?
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene has a molecular weight of 440.63 g/mol, XLogP of 7.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene is sourced from PubChem (CID 123175612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).