(24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene

C54H44N2O2 — CID 142469993

IUPAC(24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene
SMILESC=C1/C=c2\c(c3c(Oc4ccccc4)c(C)ccc3n2-c2ccccc2)=C/Cc2cc3c(cc2CC1(C)C)N(c1ccccc1)C1C=Cc2c(oc4ccccc24)C31
InChIInChI=1S/C54H44N2O2/c1-34-24-28-45-50(52(34)57-40-20-12-7-13-21-40)43-26-25-36-31-44-48(32-37(36)33-54(3,4)35(2)30-47(43)55(45)38-16-8-5-9-17-38)56(39-18-10-6-11-19-39)46-29-27-42-41-22-14-15-23-49(41)58-53(42)51(44)46/h5-24,26-32,46,51H,2,25,33H2,1,3-4H3/b43-26+,47-30+
InChIKeyZTXRENTZYRWZCY-JNUBCTEGSA-N
MW752.96 g/mol
LogP12.10
Rot. Bonds4

About (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene

(24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene (PubChem CID 142469993) has the molecular formula C54H44N2O2 and a molecular weight of 752.96 g/mol. Its IUPAC name is (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene.

Molecular Properties

Compound Name(24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene
PubChem CID142469993
Molecular FormulaC54H44N2O2
Molecular Weight752.96 g/mol
Exact Mass752.34
IUPAC Name(24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene
SMILESC=C1/C=c2\c(c3c(Oc4ccccc4)c(C)ccc3n2-c2ccccc2)=C/Cc2cc3c(cc2CC1(C)C)N(c1ccccc1)C1C=Cc2c(oc4ccccc24)C31
InChIInChI=1S/C54H44N2O2/c1-34-24-28-45-50(52(34)57-40-20-12-7-13-21-40)43-26-25-36-31-44-48(32-37(36)33-54(3,4)35(2)30-47(43)55(45)38-16-8-5-9-17-38)56(39-18-10-6-11-19-39)46-29-27-42-41-22-14-15-23-49(41)58-53(42)51(44)46/h5-24,26-32,46,51H,2,25,33H2,1,3-4H3/b43-26+,47-30+
InChIKeyZTXRENTZYRWZCY-JNUBCTEGSA-N
XLogP12.10
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene with MolForge

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Related Compounds

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3-[4-(3-methyl-3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 130180744
24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene
CID 145268651
8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
CID 142466952
3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene
CID 129305346
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole
CID 163667096
10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146428509
4b-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N,12-diphenyl-11bH-[1]benzofuro[2,3-a]carbazol-5-amine
CID 126656588
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089
3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole
CID 145141060

Frequently Asked Questions

What is the IUPAC name of (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene?
The IUPAC name of (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene (CID 142469993) is (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene.
What is the SMILES notation for (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene?
The canonical SMILES for (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene is C=C1/C=c2\c(c3c(Oc4ccccc4)c(C)ccc3n2-c2ccccc2)=C/Cc2cc3c(cc2CC1(C)C)N(c1ccccc1)C1C=Cc2c(oc4ccccc24)C31.
What is the InChIKey of (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene?
The InChIKey is ZTXRENTZYRWZCY-JNUBCTEGSA-N. The full InChI is InChI=1S/C54H44N2O2/c1-34-24-28-45-50(52(34)57-40-20-12-7-13-21-40)43-26-25-36-31-44-48(32-37(36)33-54(3,4)35(2)30-47(43)55(45)38-16-8-5-9-17-38)56(39-18-10-6-11-19-39)46-29-27-42-41-22-14-15-23-49(41)58-53(42)51(44)46/h5-24,26-32,46,51H,2,25,33H2,1,3-4H3/b43-26+,47-30+.
What are the key properties of (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene?
(24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene has a molecular weight of 752.96 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (24E,33Z)-22,22,30-trimethyl-23-methylidene-31-phenoxy-17,26-diphenyl-6-oxa-17,26-diazaoctacyclo[18.15.0.03,18.04,16.05,13.07,12.025,33.027,32]pentatriaconta-1,3(18),5(13),7,9,11,14,19,24,27(32),28,30,33-tridecaene is sourced from PubChem (CID 142469993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).