13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene

C36H34 — CID 90777301

IUPAC13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene
SMILESCC1(C)C2=C3c4c(cc(-c5cccc6c5=CCCC=6)c5cccc1c45)C(C)(C)C3CC1CC=CC=C21
InChIInChI=1S/C36H34/c1-35(2)29-19-22-12-6-8-15-24(22)34-33(29)32-30(35)20-27(25-16-9-13-21-11-5-7-14-23(21)25)26-17-10-18-28(31(26)32)36(34,3)4/h6,8-11,13-18,20,22,29H,5,7,12,19H2,1-4H3
InChIKeyFZGPYMJNRXOIHT-UHFFFAOYSA-N
MW466.67 g/mol
LogP7.72
Rot. Bonds1

About 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene

13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene (PubChem CID 90777301) has the molecular formula C36H34 and a molecular weight of 466.67 g/mol. Its IUPAC name is 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene.

Molecular Properties

Compound Name13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene
PubChem CID90777301
Molecular FormulaC36H34
Molecular Weight466.67 g/mol
Exact Mass466.27
IUPAC Name13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene
SMILESCC1(C)C2=C3c4c(cc(-c5cccc6c5=CCCC=6)c5cccc1c45)C(C)(C)C3CC1CC=CC=C21
InChIInChI=1S/C36H34/c1-35(2)29-19-22-12-6-8-15-24(22)34-33(29)32-30(35)20-27(25-16-9-13-21-11-5-7-14-23(21)25)26-17-10-18-28(31(26)32)36(34,3)4/h6,8-11,13-18,20,22,29H,5,7,12,19H2,1-4H3
InChIKeyFZGPYMJNRXOIHT-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene with MolForge

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Related Compounds

7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 89298312
9-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-10-(6,7-dihydronaphthalen-1-yl)anthracene
CID 123406834
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 170243434
6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene
CID 123821787
7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene
CID 171044967
12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine
CID 123655872
5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran
CID 90910495
1,9,10,10a-tetrahydrophenanthren-9-amine
CID 70670077
4'-bromo-N-(9,9-dimethylfluoren-2-yl)-N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 155129994
9-(2-cyclohexa-1,3-dien-1-ylethynyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,7,9,14,16,18,20,23-decaene
CID 123434351
1-[18-(6,7-dihydrodibenzothiophen-1-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,11,13(24),14(22),15(20),16,18-decaenyl]dibenzothiophene
CID 163639611
N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine
CID 123714942

Frequently Asked Questions

What is the IUPAC name of 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene?
The IUPAC name of 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene (CID 90777301) is 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene.
What is the SMILES notation for 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene?
The canonical SMILES for 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene is CC1(C)C2=C3c4c(cc(-c5cccc6c5=CCCC=6)c5cccc1c45)C(C)(C)C3CC1CC=CC=C21.
What is the InChIKey of 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene?
The InChIKey is FZGPYMJNRXOIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34/c1-35(2)29-19-22-12-6-8-15-24(22)34-33(29)32-30(35)20-27(25-16-9-13-21-11-5-7-14-23(21)25)26-17-10-18-28(31(26)32)36(34,3)4/h6,8-11,13-18,20,22,29H,5,7,12,19H2,1-4H3.
What are the key properties of 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene?
13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene has a molecular weight of 466.67 g/mol, XLogP of 7.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene is sourced from PubChem (CID 90777301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).