16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene

C43H26N4 — CID 155020557

IUPAC16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
SMILESc1ccc2c3c(ccc2c1)Cc1cc2c(cc1-3)c1ccccc1n2-c1nc2ccccc2nc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H26N4/c1-2-12-29-26(11-1)21-22-27-23-28-24-40-34(25-33(28)41(27)29)32-15-5-10-20-39(32)47(40)43-42(44-35-16-6-7-17-36(35)45-43)46-37-18-8-3-13-30(37)31-14-4-9-19-38(31)46/h1-22,24-25H,23H2
InChIKeyBLORJUOEBNTAHI-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.55
Rot. Bonds2

About 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene

16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene (PubChem CID 155020557) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
PubChem CID155020557
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
SMILESc1ccc2c3c(ccc2c1)Cc1cc2c(cc1-3)c1ccccc1n2-c1nc2ccccc2nc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H26N4/c1-2-12-29-26(11-1)21-22-27-23-28-24-40-34(25-33(28)41(27)29)32-15-5-10-20-39(32)47(40)43-42(44-35-16-6-7-17-36(35)45-43)46-37-18-8-3-13-30(37)31-14-4-9-19-38(31)46/h1-22,24-25H,23H2
InChIKeyBLORJUOEBNTAHI-UHFFFAOYSA-N
XLogP10.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene with MolForge

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Related Compounds

22-ethyl-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 122464018
12-[3-(9H-fluoren-1-yl)quinoxalin-2-yl]-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020555
12-(3-carbazol-9-ylquinoxalin-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 146214081
10-tert-butyl-5-phenyl-7H-indeno[2,1-b]carbazole
CID 58489669
21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 154629324
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
CID 159117646
12,12,13,13-tetramethyl-17-(3-phenylquinoxalin-2-yl)-17-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(14),2,4,6,8,10,15,18,20,22,24-undecaene
CID 163479723
14-ethyl-14-azaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene
CID 161078028
N-[2-(1-phenylethylideneamino)phenyl]-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-16-amine
CID 155020513
16-[3-(2-phenylphenyl)quinoxalin-2-yl]-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020559
7-(3-methylquinoxalin-2-yl)benzo[c]carbazole
CID 130265958
12,12,13,13-tetramethyl-17-(4-phenylquinazolin-2-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene
CID 163755346

Frequently Asked Questions

What is the IUPAC name of 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene?
The IUPAC name of 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene (CID 155020557) is 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene.
What is the SMILES notation for 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene?
The canonical SMILES for 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene is c1ccc2c3c(ccc2c1)Cc1cc2c(cc1-3)c1ccccc1n2-c1nc2ccccc2nc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene?
The InChIKey is BLORJUOEBNTAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c1-2-12-29-26(11-1)21-22-27-23-28-24-40-34(25-33(28)41(27)29)32-15-5-10-20-39(32)47(40)43-42(44-35-16-6-7-17-36(35)45-43)46-37-18-8-3-13-30(37)31-14-4-9-19-38(31)46/h1-22,24-25H,23H2.
What are the key properties of 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene?
16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene has a molecular weight of 598.71 g/mol, XLogP of 10.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 155020557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).