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

C53H48 — CID 90732347

IUPAC6-(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
SMILESCC1(C)c2ccccc2C2=CC=C(C3=Cc4c(C5CC=Cc6ccccc65)cc5c(c4CC3)C=C(C3CC=CC4=C3C=CCC4)C3CC=CC=C53)CC21
InChIInChI=1S/C53H48/c1-53(2)51-24-10-9-21-44(51)45-28-26-36(30-52(45)53)35-25-27-43-46(29-35)48(40-23-12-16-34-14-4-6-18-38(34)40)32-49-42-20-8-7-19-41(42)47(31-50(43)49)39-22-11-15-33-13-3-5-17-37(33)39/h4-12,14-18,20-21,24,26,28-29,31-32,39-41,52H,3,13,19,22-23,25,27,30H2,1-2H3
InChIKeyXVEKMYJKTHQMOB-UHFFFAOYSA-N
MW684.97 g/mol
LogP13.47
Rot. Bonds3

About 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

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 (PubChem CID 90732347) has the molecular formula C53H48 and a molecular weight of 684.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID90732347
Molecular FormulaC53H48
Molecular Weight684.97 g/mol
Exact Mass684.38
IUPAC Name6-(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
SMILESCC1(C)c2ccccc2C2=CC=C(C3=Cc4c(C5CC=Cc6ccccc65)cc5c(c4CC3)C=C(C3CC=CC4=C3C=CCC4)C3CC=CC=C53)CC21
InChIInChI=1S/C53H48/c1-53(2)51-24-10-9-21-44(51)45-28-26-36(30-52(45)53)35-25-27-43-46(29-35)48(40-23-12-16-34-14-4-6-18-38(34)40)32-49-42-20-8-7-19-41(42)47(31-50(43)49)39-22-11-15-33-13-3-5-17-37(33)39/h4-12,14-18,20-21,24,26,28-29,31-32,39-41,52H,3,13,19,22-23,25,27,30H2,1-2H3
InChIKeyXVEKMYJKTHQMOB-UHFFFAOYSA-N
XLogP13.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.97
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

6,12-bis(1,7,8,8a-tetrahydronaphthalen-1-yl)-3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,4b,10,10a,10b-hexahydrochrysene
CID 90718313
3-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-6,12-bis(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-4b,10b-dihydrochrysene
CID 90753880
4-[12-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-4b,5-dihydrochrysen-6-yl]-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),4,6,11,13(21),14,16,18-octaene
CID 123434893
2-[4-[3-buta-1,3-dienyl-4-(3-phenyl-7,8-dihydronaphthalen-2-yl)-4a,8a-dihydronaphthalen-1-yl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-1,9a-dihydrofluorene
CID 90774554
2-(4a,8a-dihydronaphthalen-1-yl)-9,9-dimethyl-1,9a-dihydrofluorene
CID 123963196
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
2-[(8aR)-4-iodo-1,7,8,8a-tetrahydronaphthalen-1-yl]-9,9-dimethyl-1,9a-dihydrofluorene
CID 70994381
2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene
CID 145007218
3-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-12-naphthalen-2-yl-6-(1,2,5,6-tetrahydronaphthalen-2-yl)-4b,10b-dihydrochrysene
CID 91310501
N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 89356006
N-[4-[4-[cyclohexa-2,4-dien-1-yl(1,2,5,6-tetrahydronaphthalen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129181008
7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123872795

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2C2=CC=C(C3=Cc4c(C5CC=Cc6ccccc65)cc5c(c4CC3)C=C(C3CC=CC4=C3C=CCC4)C3CC=CC=C53)CC21.
What is the InChIKey of 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?
The InChIKey is XVEKMYJKTHQMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48/c1-53(2)51-24-10-9-21-44(51)45-28-26-36(30-52(45)53)35-25-27-43-46(29-35)48(40-23-12-16-34-14-4-6-18-38(34)40)32-49-42-20-8-7-19-41(42)47(31-50(43)49)39-22-11-15-33-13-3-5-17-37(33)39/h4-12,14-18,20-21,24,26,28-29,31-32,39-41,52H,3,13,19,22-23,25,27,30H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 684.97 g/mol, XLogP of 13.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90732347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).