15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene

C53H35NO — CID 176747759

IUPAC15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N4c5cccc6c5C5(c7ccccc7C6c6ccccc65)c5c4ccc4oc6ccccc6c54)cc3)cccc21
InChIInChI=1S/C53H35NO/c1-52(2)39-19-7-3-13-34(39)48-33(17-11-22-42(48)52)31-25-27-32(28-26-31)54-43-23-12-18-38-47-35-14-4-8-20-40(35)53(50(38)43,41-21-9-5-15-36(41)47)51-44(54)29-30-46-49(51)37-16-6-10-24-45(37)55-46/h3-30,47H,1-2H3
InChIKeyQDXQEXUBOJNSON-UHFFFAOYSA-N
MW701.87 g/mol
LogP13.53
Rot. Bonds2

About 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene

15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene (PubChem CID 176747759) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene.

Molecular Properties

Compound Name15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene
PubChem CID176747759
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC Name15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N4c5cccc6c5C5(c7ccccc7C6c6ccccc65)c5c4ccc4oc6ccccc6c54)cc3)cccc21
InChIInChI=1S/C53H35NO/c1-52(2)39-19-7-3-13-34(39)48-33(17-11-22-42(48)52)31-25-27-32(28-26-31)54-43-23-12-18-38-47-35-14-4-8-20-40(35)53(50(38)43,41-21-9-5-15-36(41)47)51-44(54)29-30-46-49(51)37-16-6-10-24-45(37)55-46/h3-30,47H,1-2H3
InChIKeyQDXQEXUBOJNSON-UHFFFAOYSA-N
XLogP13.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene with MolForge

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Related Compounds

14,14-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-19-methyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164755613
4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole
CID 154970897
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302878
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran
CID 159724531
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146115
14,14-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-17-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 164755378
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile
CID 152826591
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551

Frequently Asked Questions

What is the IUPAC name of 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene?
The IUPAC name of 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene (CID 176747759) is 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene.
What is the SMILES notation for 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene?
The canonical SMILES for 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene is CC1(C)c2ccccc2-c2c(-c3ccc(N4c5cccc6c5C5(c7ccccc7C6c6ccccc65)c5c4ccc4oc6ccccc6c54)cc3)cccc21.
What is the InChIKey of 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene?
The InChIKey is QDXQEXUBOJNSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-52(2)39-19-7-3-13-34(39)48-33(17-11-22-42(48)52)31-25-27-32(28-26-31)54-43-23-12-18-38-47-35-14-4-8-20-40(35)53(50(38)43,41-21-9-5-15-36(41)47)51-44(54)29-30-46-49(51)37-16-6-10-24-45(37)55-46/h3-30,47H,1-2H3.
What are the key properties of 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene?
15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene has a molecular weight of 701.87 g/mol, XLogP of 13.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene is sourced from PubChem (CID 176747759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).