11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene

C44H28N4 — CID 126700529

IUPAC11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene
SMILESC1=CC2=NC(n3c4ccccc4c4cc5c(cc43)-c3ccccc3-n3c4ccccc4c4cccc-5c43)=C(c3ccccc3)NC2C=C1
InChIInChI=1S/C44H28N4/c1-2-13-27(14-3-1)42-44(46-37-21-8-7-20-36(37)45-42)48-40-24-11-6-17-30(40)35-25-33-32-19-12-18-31-28-15-4-9-22-38(28)47(43(31)32)39-23-10-5-16-29(39)34(33)26-41(35)48/h1-26,36,45H
InChIKeyCVESFSGWKSKRAP-UHFFFAOYSA-N
MW612.74 g/mol
LogP10.36
Rot. Bonds2

About 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene

11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene (PubChem CID 126700529) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene.

Molecular Properties

Compound Name11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene
PubChem CID126700529
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene
SMILESC1=CC2=NC(n3c4ccccc4c4cc5c(cc43)-c3ccccc3-n3c4ccccc4c4cccc-5c43)=C(c3ccccc3)NC2C=C1
InChIInChI=1S/C44H28N4/c1-2-13-27(14-3-1)42-44(46-37-21-8-7-20-36(37)45-42)48-40-24-11-6-17-30(40)35-25-33-32-19-12-18-31-28-15-4-9-22-38(28)47(43(31)32)39-23-10-5-16-29(39)34(33)26-41(35)48/h1-26,36,45H
InChIKeyCVESFSGWKSKRAP-UHFFFAOYSA-N
XLogP10.36
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 510.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene with MolForge

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Related Compounds

9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole
CID 121356812
5-phenyl-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126699843
20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene
CID 121263623
15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene
CID 126700469
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 121386013
22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene
CID 145085430
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
13-(3-phenylquinoxalin-2-yl)-13,18,25-triazaoctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17(26),18,20,22,27,29-tetradecaene
CID 163559825
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713

Frequently Asked Questions

What is the IUPAC name of 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene?
The IUPAC name of 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene (CID 126700529) is 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene.
What is the SMILES notation for 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene?
The canonical SMILES for 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene is C1=CC2=NC(n3c4ccccc4c4cc5c(cc43)-c3ccccc3-n3c4ccccc4c4cccc-5c43)=C(c3ccccc3)NC2C=C1.
What is the InChIKey of 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene?
The InChIKey is CVESFSGWKSKRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-2-13-27(14-3-1)42-44(46-37-21-8-7-20-36(37)45-42)48-40-24-11-6-17-30(40)35-25-33-32-19-12-18-31-28-15-4-9-22-38(28)47(43(31)32)39-23-10-5-16-29(39)34(33)26-41(35)48/h1-26,36,45H.
What are the key properties of 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene?
11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene has a molecular weight of 612.74 g/mol, XLogP of 10.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene is sourced from PubChem (CID 126700529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).