5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene

C64H46 — CID 91120642

IUPAC5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6c(cc35)-c3cccc5c7c(cc-6c35)CCC=C7)C3=CC=CC5C=CC=C4C35)cc21
InChIInChI=1S/C64H46/c1-63(2)53-24-9-7-18-40(53)42-28-26-37(31-55(42)63)58-51-33-48-45-21-13-20-44-39-17-6-5-14-36(39)30-50(60(44)45)49(48)34-52(51)59(62-47-23-12-16-35-15-11-22-46(57(35)47)61(58)62)38-27-29-43-41-19-8-10-25-54(41)64(3,4)56(43)32-38/h6-13,15-35,57H,5,14H2,1-4H3
InChIKeyIAIOCYJVQSUFBH-UHFFFAOYSA-N
MW815.07 g/mol
LogP16.70
Rot. Bonds2

About 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene

5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene (PubChem CID 91120642) has the molecular formula C64H46 and a molecular weight of 815.07 g/mol. Its IUPAC name is 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene.

Molecular Properties

Compound Name5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene
PubChem CID91120642
Molecular FormulaC64H46
Molecular Weight815.07 g/mol
Exact Mass814.36
IUPAC Name5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6c(cc35)-c3cccc5c7c(cc-6c35)CCC=C7)C3=CC=CC5C=CC=C4C35)cc21
InChIInChI=1S/C64H46/c1-63(2)53-24-9-7-18-40(53)42-28-26-37(31-55(42)63)58-51-33-48-45-21-13-20-44-39-17-6-5-14-36(39)30-50(60(44)45)49(48)34-52(51)59(62-47-23-12-16-35-15-11-22-46(57(35)47)61(58)62)38-27-29-43-41-19-8-10-25-54(41)64(3,4)56(43)32-38/h6-13,15-35,57H,5,14H2,1-4H3
InChIKeyIAIOCYJVQSUFBH-UHFFFAOYSA-N
XLogP16.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.07
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene with MolForge

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Related Compounds

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CID 58454251
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Frequently Asked Questions

What is the IUPAC name of 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene?
The IUPAC name of 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene (CID 91120642) is 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene.
What is the SMILES notation for 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene?
The canonical SMILES for 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene is CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6c(cc35)-c3cccc5c7c(cc-6c35)CCC=C7)C3=CC=CC5C=CC=C4C35)cc21.
What is the InChIKey of 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene?
The InChIKey is IAIOCYJVQSUFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46/c1-63(2)53-24-9-7-18-40(53)42-28-26-37(31-55(42)63)58-51-33-48-45-21-13-20-44-39-17-6-5-14-36(39)30-50(60(44)45)49(48)34-52(51)59(62-47-23-12-16-35-15-11-22-46(57(35)47)61(58)62)38-27-29-43-41-19-8-10-25-54(41)64(3,4)56(43)32-38/h6-13,15-35,57H,5,14H2,1-4H3.
What are the key properties of 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene?
5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene has a molecular weight of 815.07 g/mol, XLogP of 16.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene is sourced from PubChem (CID 91120642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).