14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene

C41H25N3O — CID 129092449

IUPAC14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c5cc6c(cc5n5c7nc8ccccc8nc7c(c3)c45)oc3ccccc36)ccc21
InChIInChI=1S/C41H25N3O/c1-41(2)31-11-5-3-9-24(31)26-17-22(15-16-32(26)41)23-18-29-27-20-28-25-10-4-8-14-36(25)45-37(28)21-35(27)44-39(29)30(19-23)38-40(44)43-34-13-7-6-12-33(34)42-38/h3-21H,1-2H3
InChIKeyIOEWPUKAWWHKNH-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.65
Rot. Bonds1

About 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene

14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene (PubChem CID 129092449) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene.

Molecular Properties

Compound Name14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
PubChem CID129092449
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c5cc6c(cc5n5c7nc8ccccc8nc7c(c3)c45)oc3ccccc36)ccc21
InChIInChI=1S/C41H25N3O/c1-41(2)31-11-5-3-9-24(31)26-17-22(15-16-32(26)41)23-18-29-27-20-28-25-10-4-8-14-36(25)45-37(28)21-35(27)44-39(29)30(19-23)38-40(44)43-34-13-7-6-12-33(34)42-38/h3-21H,1-2H3
InChIKeyIOEWPUKAWWHKNH-UHFFFAOYSA-N
XLogP10.65
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene with MolForge

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Related Compounds

21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577808
14-dibenzofuran-2-yl-26-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 129092535
15-dibenzofuran-2-yl-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
CID 126577892
2-(9,9-dimethylfluoren-3-yl)-4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-6-phenyl-1,3,5-triazine
CID 167689727
18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione
CID 164528448
24-naphthalen-1-yl-20-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,21(26),22,24,27-tetradecaene
CID 129092614
29,29-dimethyl-11-oxa-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,5,7,9,12,15,17,19(33),20,22(30),23,25,27,31-pentadecaene
CID 146375845
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene?
The IUPAC name of 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene (CID 129092449) is 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene.
What is the SMILES notation for 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene?
The canonical SMILES for 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene is CC1(C)c2ccccc2-c2cc(-c3cc4c5cc6c(cc5n5c7nc8ccccc8nc7c(c3)c45)oc3ccccc36)ccc21.
What is the InChIKey of 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene?
The InChIKey is IOEWPUKAWWHKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-41(2)31-11-5-3-9-24(31)26-17-22(15-16-32(26)41)23-18-29-27-20-28-25-10-4-8-14-36(25)45-37(28)21-35(27)44-39(29)30(19-23)38-40(44)43-34-13-7-6-12-33(34)42-38/h3-21H,1-2H3.
What are the key properties of 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene?
14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene has a molecular weight of 575.67 g/mol, XLogP of 10.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene is sourced from PubChem (CID 129092449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).