11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene

C36H24N2O2 — CID 126570171

IUPAC11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
SMILESC1=CCC(n2c3ccccc3c3c4c(ccc32)Oc2c(ccc3c2c2ccccc2n3-c2ccccc2)O4)C=C1
InChIInChI=1S/C36H24N2O2/c1-3-11-23(12-4-1)37-27-17-9-7-15-25(27)33-29(37)19-21-31-35(33)39-32-22-20-30-34(36(32)40-31)26-16-8-10-18-28(26)38(30)24-13-5-2-6-14-24/h1-13,15-22,24H,14H2
InChIKeyLJJGBVVLZLBDOS-UHFFFAOYSA-N
MW516.60 g/mol
LogP9.85
Rot. Bonds2

About 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene

11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene (PubChem CID 126570171) has the molecular formula C36H24N2O2 and a molecular weight of 516.60 g/mol. Its IUPAC name is 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene.

Molecular Properties

Compound Name11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
PubChem CID126570171
Molecular FormulaC36H24N2O2
Molecular Weight516.60 g/mol
Exact Mass516.18
IUPAC Name11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
SMILESC1=CCC(n2c3ccccc3c3c4c(ccc32)Oc2c(ccc3c2c2ccccc2n3-c2ccccc2)O4)C=C1
InChIInChI=1S/C36H24N2O2/c1-3-11-23(12-4-1)37-27-17-9-7-15-25(27)33-29(37)19-21-31-35(33)39-32-22-20-30-34(36(32)40-31)26-16-8-10-18-28(26)38(30)24-13-5-2-6-14-24/h1-13,15-22,24H,14H2
InChIKeyLJJGBVVLZLBDOS-UHFFFAOYSA-N
XLogP9.85
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene with MolForge

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Related Compounds

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9-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
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12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 156557968
7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
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[4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
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3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
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7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole
CID 129209201
4-(14-cyclohexa-2,4-dien-1-yl-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-6-naphthalen-2-yl-2-phenylpyrimidine-5-carbonitrile
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5-[2-(11-cyclohexa-2,4-dien-1-ylindolo[3,2-b]carbazol-5-yl)pyrimido[4,5-d]pyrimidin-7-yl]-12-phenylindolo[3,2-c]carbazole
CID 70912496
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
9-cyclohexa-2,4-dien-1-yl-21,21-dimethyl-18-phenyl-9,18-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
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Frequently Asked Questions

What is the IUPAC name of 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The IUPAC name of 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene (CID 126570171) is 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene.
What is the SMILES notation for 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The canonical SMILES for 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene is C1=CCC(n2c3ccccc3c3c4c(ccc32)Oc2c(ccc3c2c2ccccc2n3-c2ccccc2)O4)C=C1.
What is the InChIKey of 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The InChIKey is LJJGBVVLZLBDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O2/c1-3-11-23(12-4-1)37-27-17-9-7-15-25(27)33-29(37)19-21-31-35(33)39-32-22-20-30-34(36(32)40-31)26-16-8-10-18-28(26)38(30)24-13-5-2-6-14-24/h1-13,15-22,24H,14H2.
What are the key properties of 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene has a molecular weight of 516.60 g/mol, XLogP of 9.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene is sourced from PubChem (CID 126570171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).