25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene

C41H27NO — CID 163549147

IUPAC25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene
SMILESCC1(C)c2c(ccc3c2[nH]c2ccc4ccccc4c23)-c2ccccc2-c2ccc3c(oc4ccc5ccccc5c43)c21
InChIInChI=1S/C41H27NO/c1-41(2)37-29(17-19-31-35-25-11-5-3-9-23(25)15-21-33(35)42-39(31)37)27-13-7-8-14-28(27)30-18-20-32-36-26-12-6-4-10-24(26)16-22-34(36)43-40(32)38(30)41/h3-22,42H,1-2H3
InChIKeyFHOJWNNBTDVVEC-UHFFFAOYSA-N
MW549.67 g/mol
LogP11.50
Rot. Bonds

About 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene

25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene (PubChem CID 163549147) has the molecular formula C41H27NO and a molecular weight of 549.67 g/mol. Its IUPAC name is 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene.

Molecular Properties

Compound Name25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene
PubChem CID163549147
Molecular FormulaC41H27NO
Molecular Weight549.67 g/mol
Exact Mass549.21
IUPAC Name25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene
SMILESCC1(C)c2c(ccc3c2[nH]c2ccc4ccccc4c23)-c2ccccc2-c2ccc3c(oc4ccc5ccccc5c43)c21
InChIInChI=1S/C41H27NO/c1-41(2)37-29(17-19-31-35-25-11-5-3-9-23(25)15-21-33(35)42-39(31)37)27-13-7-8-14-28(27)30-18-20-32-36-26-12-6-4-10-24(26)16-22-34(36)43-40(32)38(30)41/h3-22,42H,1-2H3
InChIKeyFHOJWNNBTDVVEC-UHFFFAOYSA-N
XLogP11.50
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 511.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene with MolForge

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Related Compounds

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CID 145419361
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15,15-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130189441
15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene
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3,3-dimethyl-18-phenyl-19-oxa-14,17-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,20]tricosa-1(13),2(10),4,6,8,11,15(23),16(20),17,21-decaene
CID 118265424
8-[4-[7-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]-7H-benzo[c]carbazole
CID 142570333
8-chloro-7H-benzo[c]carbazole
CID 146616838
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715
8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole
CID 142570232
5-[9-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
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N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540
16-oxaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 118131021

Frequently Asked Questions

What is the IUPAC name of 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene?
The IUPAC name of 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene (CID 163549147) is 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene.
What is the SMILES notation for 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene?
The canonical SMILES for 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene is CC1(C)c2c(ccc3c2[nH]c2ccc4ccccc4c23)-c2ccccc2-c2ccc3c(oc4ccc5ccccc5c43)c21.
What is the InChIKey of 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene?
The InChIKey is FHOJWNNBTDVVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27NO/c1-41(2)37-29(17-19-31-35-25-11-5-3-9-23(25)15-21-33(35)42-39(31)37)27-13-7-8-14-28(27)30-18-20-32-36-26-12-6-4-10-24(26)16-22-34(36)43-40(32)38(30)41/h3-22,42H,1-2H3.
What are the key properties of 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene?
25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene has a molecular weight of 549.67 g/mol, XLogP of 11.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene is sourced from PubChem (CID 163549147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).