2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene

C50H36 — CID 143742435

IUPAC2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene
SMILESC1=CC2C=CC(c3cc4cc(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)cc4cc3-c3ccc4c(c3)CCC=C4)=CC2C=C1
InChIInChI=1S/C50H36/c1-5-13-37-25-41(21-17-33(37)9-1)47-29-45-31-49(43-23-19-35-11-3-7-15-39(35)27-43)50(44-24-20-36-12-4-8-16-40(36)28-44)32-46(45)30-48(47)42-22-18-34-10-2-6-14-38(34)26-42/h1-7,9-15,17-32,35,39H,8,16H2
InChIKeyKDYBFNDOHFJTPS-UHFFFAOYSA-N
MW636.84 g/mol
LogP13.42
Rot. Bonds4

About 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene

2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene (PubChem CID 143742435) has the molecular formula C50H36 and a molecular weight of 636.84 g/mol. Its IUPAC name is 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene.

Molecular Properties

Compound Name2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene
PubChem CID143742435
Molecular FormulaC50H36
Molecular Weight636.84 g/mol
Exact Mass636.28
IUPAC Name2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene
SMILESC1=CC2C=CC(c3cc4cc(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)cc4cc3-c3ccc4c(c3)CCC=C4)=CC2C=C1
InChIInChI=1S/C50H36/c1-5-13-37-25-41(21-17-33(37)9-1)47-29-45-31-49(43-23-19-35-11-3-7-15-39(35)27-43)50(44-24-20-36-12-4-8-16-40(36)28-44)32-46(45)30-48(47)42-22-18-34-10-2-6-14-38(34)26-42/h1-7,9-15,17-32,35,39H,8,16H2
InChIKeyKDYBFNDOHFJTPS-UHFFFAOYSA-N
XLogP13.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.84
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[4-(4a,8a-dihydronaphthalen-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]phenyl]-5,6-dihydroisoquinoline
CID 163561133
2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
CID 70959813
9-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-20-(4-naphthalen-2-ylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 59805318
8-(7,8-dihydronaphthalen-2-yl)-16-naphthalen-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71058981
9-[3-(6-naphthalen-2-yl-4a,8a-dihydronaphthalen-2-yl)phenyl]phenanthrene
CID 140906445
2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]
CID 137455213
N-(7,8-dihydronaphthalen-2-yl)naphthalen-2-amine
CID 172758843
1,2-dihydrotetracene
CID 526645
9-[(5Z,7E,9E)-2-phenanthren-9-yl-4a,10a-dihydrobenzo[8]annulen-7-yl]phenanthrene
CID 143980769
4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene
CID 149209339
2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 167235326
2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene
CID 89218133

Frequently Asked Questions

What is the IUPAC name of 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene?
The IUPAC name of 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene (CID 143742435) is 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene.
What is the SMILES notation for 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene?
The canonical SMILES for 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene is C1=CC2C=CC(c3cc4cc(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)cc4cc3-c3ccc4c(c3)CCC=C4)=CC2C=C1.
What is the InChIKey of 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene?
The InChIKey is KDYBFNDOHFJTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36/c1-5-13-37-25-41(21-17-33(37)9-1)47-29-45-31-49(43-23-19-35-11-3-7-15-39(35)27-43)50(44-24-20-36-12-4-8-16-40(36)28-44)32-46(45)30-48(47)42-22-18-34-10-2-6-14-38(34)26-42/h1-7,9-15,17-32,35,39H,8,16H2.
What are the key properties of 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene?
2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene has a molecular weight of 636.84 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene is sourced from PubChem (CID 143742435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).