9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C37H25NO — CID 118502798

IUPAC9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5c5ccccc5c43)ccc21
InChIInChI=1S/C37H25NO/c1-37(2)29-16-8-5-11-23(29)28-21-22(19-20-30(28)37)38-31-17-9-6-14-26(31)34-35(38)25-13-4-3-12-24(25)33-27-15-7-10-18-32(27)39-36(33)34/h3-21H,1-2H3
InChIKeyYYWHBJBZNZROLE-UHFFFAOYSA-N
MW499.61 g/mol
LogP10.14
Rot. Bonds1

About 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 118502798) has the molecular formula C37H25NO and a molecular weight of 499.61 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
PubChem CID118502798
Molecular FormulaC37H25NO
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5c5ccccc5c43)ccc21
InChIInChI=1S/C37H25NO/c1-37(2)29-16-8-5-11-23(29)28-21-22(19-20-30(28)37)38-31-17-9-6-14-26(31)34-35(38)25-13-4-3-12-24(25)33-27-15-7-10-18-32(27)39-36(33)34/h3-21H,1-2H3
InChIKeyYYWHBJBZNZROLE-UHFFFAOYSA-N
XLogP10.14
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
CID 163417489
9-(9,9-dimethylfluoren-2-yl)-21-phenyl-18-oxa-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635053
9-(4-carbazol-9-ylphenyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118502828
9-(4-methylphenyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 126501169
9-(3-carbazol-9-ylphenyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118502836
12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 122595550
11-(9,9-dimethylfluoren-3-yl)isochromeno[3,4-a]carbazol-13-one
CID 118248343
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
2-(9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaen-18-yl)-10,10-diphenylanthracen-9-one
CID 154967727
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole
CID 121289685
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 118502798) is 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5c5ccccc5c43)ccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The InChIKey is YYWHBJBZNZROLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO/c1-37(2)29-16-8-5-11-23(29)28-21-22(19-20-30(28)37)38-31-17-9-6-14-26(31)34-35(38)25-13-4-3-12-24(25)33-27-15-7-10-18-32(27)39-36(33)34/h3-21H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 499.61 g/mol, XLogP of 10.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 118502798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).