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

C68H64 — CID 90718313

IUPAC6,12-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)C3CC(C5=CC6=C(CC5)C(C5C=CC=C7C=CCCC75)=CC5C6C=C(C6C=CC=C7C=CCCC76)C6=CC=CCC65)=CC=C43)cc21
InChIInChI=1S/C68H64/c1-67(2)63-26-12-11-23-54(63)55-32-29-45(37-64(55)67)46-30-34-57-56-33-28-44(36-65(56)68(3,4)66(57)38-46)43-27-31-53-58(35-43)62-40-59(49-24-13-17-41-15-5-7-19-47(41)49)51-21-9-10-22-52(51)61(62)39-60(53)50-25-14-18-42-16-6-8-20-48(42)50/h5-6,9-18,21,23-26,28-30,32-35,37-40,47-50,52,61-62,65H,7-8,19-20,22,27,31,36H2,1-4H3
InChIKeyVLPKQTLRKRCTOM-UHFFFAOYSA-N
MW881.26 g/mol
LogP17.07
Rot. Bonds4

About 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

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 (PubChem CID 90718313) has the molecular formula C68H64 and a molecular weight of 881.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,12-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
PubChem CID90718313
Molecular FormulaC68H64
Molecular Weight881.26 g/mol
Exact Mass880.50
IUPAC Name6,12-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)C3CC(C5=CC6=C(CC5)C(C5C=CC=C7C=CCCC75)=CC5C6C=C(C6C=CC=C7C=CCCC76)C6=CC=CCC65)=CC=C43)cc21
InChIInChI=1S/C68H64/c1-67(2)63-26-12-11-23-54(63)55-32-29-45(37-64(55)67)46-30-34-57-56-33-28-44(36-65(56)68(3,4)66(57)38-46)43-27-31-53-58(35-43)62-40-59(49-24-13-17-41-15-5-7-19-47(41)49)51-21-9-10-22-52(51)61(62)39-60(53)50-25-14-18-42-16-6-8-20-48(42)50/h5-6,9-18,21,23-26,28-30,32-35,37-40,47-50,52,61-62,65H,7-8,19-20,22,27,31,36H2,1-4H3
InChIKeyVLPKQTLRKRCTOM-UHFFFAOYSA-N
XLogP17.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.26
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene
CID 90843034
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
12-(1,2,4b,8a-tetrahydrophenanthren-2-yl)-6-(1,2-dihydrophenanthren-2-yl)-3-(3,4,5,6,9,10-hexahydrophenanthren-2-yl)-1,2,4b,10,10a,10b-hexahydrochrysene
CID 91099301
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
8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene
CID 123924122
2-(4a,8a-dihydronaphthalen-1-yl)-9,9-dimethyl-1,9a-dihydrofluorene
CID 123963196
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
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
2-[(8aR)-4-iodo-1,7,8,8a-tetrahydronaphthalen-1-yl]-9,9-dimethyl-1,9a-dihydrofluorene
CID 70994381
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
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
22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
CID 118362888

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)C3CC(C5=CC6=C(CC5)C(C5C=CC=C7C=CCCC75)=CC5C6C=C(C6C=CC=C7C=CCCC76)C6=CC=CCC65)=CC=C43)cc21.
What is the InChIKey of 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?
The InChIKey is VLPKQTLRKRCTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H64/c1-67(2)63-26-12-11-23-54(63)55-32-29-45(37-64(55)67)46-30-34-57-56-33-28-44(36-65(56)68(3,4)66(57)38-46)43-27-31-53-58(35-43)62-40-59(49-24-13-17-41-15-5-7-19-47(41)49)51-21-9-10-22-52(51)61(62)39-60(53)50-25-14-18-42-16-6-8-20-48(42)50/h5-6,9-18,21,23-26,28-30,32-35,37-40,47-50,52,61-62,65H,7-8,19-20,22,27,31,36H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 881.26 g/mol, XLogP of 17.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90718313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).