7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole

C42H23N3O2 — CID 167289441

IUPAC7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc2ccccc2nc1-c1cccc2c1oc1ccc3oc4ccccc4c3c12
InChIInChI=1S/C42H23N3O2/c1-2-11-25-24(10-1)20-21-33-37(25)26-12-3-7-18-32(26)45(33)42-40(43-30-16-5-6-17-31(30)44-42)29-15-9-14-28-39-36(47-41(28)29)23-22-35-38(39)27-13-4-8-19-34(27)46-35/h1-23H
InChIKeyGDOLPXKDMNEXQW-UHFFFAOYSA-N
MW601.67 g/mol
LogP11.35
Rot. Bonds2

About 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole

7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole (PubChem CID 167289441) has the molecular formula C42H23N3O2 and a molecular weight of 601.67 g/mol. Its IUPAC name is 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole
PubChem CID167289441
Molecular FormulaC42H23N3O2
Molecular Weight601.67 g/mol
Exact Mass601.18
IUPAC Name7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc2ccccc2nc1-c1cccc2c1oc1ccc3oc4ccccc4c3c12
InChIInChI=1S/C42H23N3O2/c1-2-11-25-24(10-1)20-21-33-37(25)26-12-3-7-18-32(26)45(33)42-40(43-30-16-5-6-17-31(30)44-42)29-15-9-14-28-39-36(47-41(28)29)23-22-35-38(39)27-13-4-8-19-34(27)46-35/h1-23H
InChIKeyGDOLPXKDMNEXQW-UHFFFAOYSA-N
XLogP11.35
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.67
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole with MolForge

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Related Compounds

9-benzo[c]carbazol-7-yl-7-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[c]carbazol-7-yl-7-(3-dibenzofuran-4-ylquinoxalin-2-yl)benzo[c]carbazole;9-carbazol-9-yl-7-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[c]carbazole;9-carbazol-9-yl-7-(3-dibenzofuran-4-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163669250
9-(3-dibenzofuran-1-ylquinoxalin-2-yl)carbazole
CID 166849499
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
8-dibenzofuran-2-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142571164
12-(3-dibenzofuran-2-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-3-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158909628
8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142570474
15-(3-phenylquinoxalin-2-yl)-10,20-dioxa-15-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-(3-phenylquinoxalin-2-yl)-10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;26-(3-phenylquinoxalin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 165096046
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 139361745
11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375025
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine
CID 155485481
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499

Frequently Asked Questions

What is the IUPAC name of 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole (CID 167289441) is 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole is c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc2ccccc2nc1-c1cccc2c1oc1ccc3oc4ccccc4c3c12.
What is the InChIKey of 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole?
The InChIKey is GDOLPXKDMNEXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23N3O2/c1-2-11-25-24(10-1)20-21-33-37(25)26-12-3-7-18-32(26)45(33)42-40(43-30-16-5-6-17-31(30)44-42)29-15-9-14-28-39-36(47-41(28)29)23-22-35-38(39)27-13-4-8-19-34(27)46-35/h1-23H.
What are the key properties of 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole?
7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole has a molecular weight of 601.67 g/mol, XLogP of 11.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 167289441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).