11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole

C42H23N3O2 — CID 167289437

IUPAC11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole
SMILESc1ccc2c(c1)ccc1c3ccccc3n(-c3nc4ccccc4nc3-c3ccc4oc5ccc6oc7ccccc7c6c5c4c3)c21
InChIInChI=1S/C42H23N3O2/c1-2-10-26-24(9-1)17-19-28-27-11-3-7-15-33(27)45(41(26)28)42-40(43-31-13-5-6-14-32(31)44-42)25-18-20-35-30(23-25)39-37(47-35)22-21-36-38(39)29-12-4-8-16-34(29)46-36/h1-23H
InChIKeyYRVLUSSOXXQBOR-UHFFFAOYSA-N
MW601.67 g/mol
LogP11.35
Rot. Bonds2

About 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole

11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole (PubChem CID 167289437) has the molecular formula C42H23N3O2 and a molecular weight of 601.67 g/mol. Its IUPAC name is 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole
PubChem CID167289437
Molecular FormulaC42H23N3O2
Molecular Weight601.67 g/mol
Exact Mass601.18
IUPAC Name11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole
SMILESc1ccc2c(c1)ccc1c3ccccc3n(-c3nc4ccccc4nc3-c3ccc4oc5ccc6oc7ccccc7c6c5c4c3)c21
InChIInChI=1S/C42H23N3O2/c1-2-10-26-24(9-1)17-19-28-27-11-3-7-15-33(27)45(41(26)28)42-40(43-31-13-5-6-14-32(31)44-42)25-18-20-35-30(23-25)39-37(47-35)22-21-36-38(39)29-12-4-8-16-34(29)46-36/h1-23H
InChIKeyYRVLUSSOXXQBOR-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 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole with MolForge

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Related Compounds

9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375308
12-(3-phenylquinoxalin-2-yl)-16-oxa-12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020585
13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472964
8-dibenzofuran-2-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142571164
14-(3-naphthalen-2-ylquinoxalin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene
CID 148811701
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-phenanthren-3-yl-[1]benzofuro[2,3-b]pyrazine
CID 162472750
8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142570474
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
13-(3-dibenzofuran-3-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472792
8-(3-dibenzofuran-2-ylquinoxalin-2-yl)-26-phenyl-8,26-diazaoctacyclo[16.7.1.04,24.07,23.09,22.012,21.015,20.019,25]hexacosa-1(25),2,4(24),5,7(23),9(22),10,12(21),13,15(20),16,18-dodecaene
CID 162770258
11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole
CID 155114316

Frequently Asked Questions

What is the IUPAC name of 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole?
The IUPAC name of 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole (CID 167289437) is 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole.
What is the SMILES notation for 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole?
The canonical SMILES for 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole is c1ccc2c(c1)ccc1c3ccccc3n(-c3nc4ccccc4nc3-c3ccc4oc5ccc6oc7ccccc7c6c5c4c3)c21.
What is the InChIKey of 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole?
The InChIKey is YRVLUSSOXXQBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23N3O2/c1-2-10-26-24(9-1)17-19-28-27-11-3-7-15-33(27)45(41(26)28)42-40(43-31-13-5-6-14-32(31)44-42)25-18-20-35-30(23-25)39-37(47-35)22-21-36-38(39)29-12-4-8-16-34(29)46-36/h1-23H.
What are the key properties of 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole?
11-[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-5-yl)quinoxalin-2-yl]benzo[a]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 11-[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-5-yl)quinoxalin-2-yl]benzo[a]carbazole is sourced from PubChem (CID 167289437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).