ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene

C29H30N2O — CID 145243641

IUPACethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene
SMILESC/C=C\c1c(C)[nH]c2c3c(ccc12)C(C)(C)c1c(ccc2c1[nH]c1ccccc12)O3.CC
InChIInChI=1S/C27H24N2O.C2H6/c1-5-8-16-15(2)28-25-18(16)11-13-20-26(25)30-22-14-12-19-17-9-6-7-10-21(17)29-24(19)23(22)27(20,3)4;1-2/h5-14,28-29H,1-4H3;1-2H3/b8-5-;
InChIKeySSUQWRQBAOWFGR-HGKIGUAWSA-N
MW422.57 g/mol
LogP8.60
Rot. Bonds1

About ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene

ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene (PubChem CID 145243641) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene.

Molecular Properties

Compound Nameethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene
PubChem CID145243641
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC Nameethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene
SMILESC/C=C\c1c(C)[nH]c2c3c(ccc12)C(C)(C)c1c(ccc2c1[nH]c1ccccc12)O3.CC
InChIInChI=1S/C27H24N2O.C2H6/c1-5-8-16-15(2)28-25-18(16)11-13-20-26(25)30-22-14-12-19-17-9-6-7-10-21(17)29-24(19)23(22)27(20,3)4;1-2/h5-14,28-29H,1-4H3;1-2H3/b8-5-;
InChIKeySSUQWRQBAOWFGR-HGKIGUAWSA-N
XLogP8.60
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene with MolForge

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Related Compounds

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CID 126567930
11-oxa-8-azatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaene;oxolane
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2-prop-2-enoxy-1-[(E)-prop-1-enyl]-9H-carbazole
CID 102292352
1-(1-methylcyclohexyl)-9H-carbazole
CID 173176825
1-(4-prop-1-enylphenyl)-9H-carbazole
CID 175584569
9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole
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2-chloro-1-methyl-9H-carbazole
CID 154342995
15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene
CID 145390318
12H-[1]benzofuro[3,2-a]carbazole;ethane
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12H-[1]benzofuro[2,3-a]carbazole;ethane
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1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium
CID 11199472

Frequently Asked Questions

What is the IUPAC name of ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene?
The IUPAC name of ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene (CID 145243641) is ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene.
What is the SMILES notation for ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene?
The canonical SMILES for ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene is C/C=C\c1c(C)[nH]c2c3c(ccc12)C(C)(C)c1c(ccc2c1[nH]c1ccccc12)O3.CC.
What is the InChIKey of ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene?
The InChIKey is SSUQWRQBAOWFGR-HGKIGUAWSA-N. The full InChI is InChI=1S/C27H24N2O.C2H6/c1-5-8-16-15(2)28-25-18(16)11-13-20-26(25)30-22-14-12-19-17-9-6-7-10-21(17)29-24(19)23(22)27(20,3)4;1-2/h5-14,28-29H,1-4H3;1-2H3/b8-5-;.
What are the key properties of ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene?
ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene has a molecular weight of 422.57 g/mol, XLogP of 8.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;18,24,24-trimethyl-19-[(Z)-prop-1-enyl]-14-oxa-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene is sourced from PubChem (CID 145243641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).