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

C34H30 — CID 168834157

IUPAC9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene
SMILESC1=CC2C(C3=CC4=C(C=CCC4)CC3)=c3ccccc3=C(C3=Cc4ccccc4CC3)C2C=C1
InChIInChI=1S/C34H30/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/h1-3,5-11,13-16,21-22,29,31H,4,12,17-20H2
InChIKeyPUJBOFIIVXLQKF-UHFFFAOYSA-N
MW438.61 g/mol
LogP6.76
Rot. Bonds2

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

9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene (PubChem CID 168834157) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene.

Molecular Properties

Compound Name9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene
PubChem CID168834157
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene
SMILESC1=CC2C(C3=CC4=C(C=CCC4)CC3)=c3ccccc3=C(C3=Cc4ccccc4CC3)C2C=C1
InChIInChI=1S/C34H30/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/h1-3,5-11,13-16,21-22,29,31H,4,12,17-20H2
InChIKeyPUJBOFIIVXLQKF-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-[10-(3,4-dihydronaphthalen-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-6-methyl-1,2-dihydropyridine
CID 88554583
9-[6-(4a,8a-dihydronaphthalen-1-yl)-3,4,7,8-tetrahydronaphthalen-2-yl]-10-[6-(2,3-dihydronaphthalen-1-yl)-7,8-dihydronaphthalen-2-yl]-4a,9a-dihydroanthracene
CID 123809093
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
12,12-dimethyl-9-[6-(3,4,7,8-tetrahydronaphthalen-2-yl)-3,4,7,8-tetrahydronaphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),4,6,9,14,17,19-octaene
CID 91511515
9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-4a,9a-dihydroanthracene
CID 123735519
7,12-di(cyclohexa-1,3-dien-1-yl)-3,4,6a,12a-tetrahydrobenzo[a]anthracene
CID 123230629
1,2-dihydronaphthalene
CID 161389674
1,2-dihydronaphthalene
CID 9938
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
5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene
CID 144726276
9-(3,4-dihydronaphthalen-2-yl)-10-(5,6-dihydronaphthalen-2-yl)-2-methyl-1,2-dihydroanthracene
CID 145280807
7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123872795

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene?
The IUPAC name of 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene (CID 168834157) is 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene.
What is the SMILES notation for 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene?
The canonical SMILES for 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene is C1=CC2C(C3=CC4=C(C=CCC4)CC3)=c3ccccc3=C(C3=Cc4ccccc4CC3)C2C=C1.
What is the InChIKey of 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene?
The InChIKey is PUJBOFIIVXLQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30/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/h1-3,5-11,13-16,21-22,29,31H,4,12,17-20H2.
What are the key properties of 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene?
9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene has a molecular weight of 438.61 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene is sourced from PubChem (CID 168834157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).