16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene

C40H38 — CID 90761050

IUPAC16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene
SMILESCC1(C)C2=C(CCC=C2)C2CCc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3-c3cccc1c3C2
InChIInChI=1S/C40H38/c1-39(2)35-13-7-5-10-29(35)28-19-17-25-16-18-26(22-33(25)30-12-9-15-37(39)34(30)23-28)27-20-21-32-31-11-6-8-14-36(31)40(3,4)38(32)24-27/h6-9,11-16,18,20-22,24,28H,5,10,17,19,23H2,1-4H3
InChIKeyXKTIDBAJIXVNQW-UHFFFAOYSA-N
MW518.74 g/mol
LogP10.37
Rot. Bonds1

About 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene

16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene (PubChem CID 90761050) has the molecular formula C40H38 and a molecular weight of 518.74 g/mol. Its IUPAC name is 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene.

Molecular Properties

Compound Name16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene
PubChem CID90761050
Molecular FormulaC40H38
Molecular Weight518.74 g/mol
Exact Mass518.30
IUPAC Name16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene
SMILESCC1(C)C2=C(CCC=C2)C2CCc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3-c3cccc1c3C2
InChIInChI=1S/C40H38/c1-39(2)35-13-7-5-10-29(35)28-19-17-25-16-18-26(22-33(25)30-12-9-15-37(39)34(30)23-28)27-20-21-32-31-11-6-8-14-36(31)40(3,4)38(32)24-27/h6-9,11-16,18,20-22,24,28H,5,10,17,19,23H2,1-4H3
InChIKeyXKTIDBAJIXVNQW-UHFFFAOYSA-N
XLogP10.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.74
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene with MolForge

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Related Compounds

9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
2-[3-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine
CID 138484674
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434

Frequently Asked Questions

What is the IUPAC name of 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene?
The IUPAC name of 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene (CID 90761050) is 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene.
What is the SMILES notation for 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene?
The canonical SMILES for 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene is CC1(C)C2=C(CCC=C2)C2CCc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3-c3cccc1c3C2.
What is the InChIKey of 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene?
The InChIKey is XKTIDBAJIXVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38/c1-39(2)35-13-7-5-10-29(35)28-19-17-25-16-18-26(22-33(25)30-12-9-15-37(39)34(30)23-28)27-20-21-32-31-11-6-8-14-36(31)40(3,4)38(32)24-27/h6-9,11-16,18,20-22,24,28H,5,10,17,19,23H2,1-4H3.
What are the key properties of 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene?
16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene has a molecular weight of 518.74 g/mol, XLogP of 10.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene is sourced from PubChem (CID 90761050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).