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

C40H24N4 — CID 146214081

IUPAC12-(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
SMILESc1ccc2c3c(ccc2c1)N(c1nc2ccccc2nc1-n1c2ccccc2c2ccccc21)c1cccc2cccc-3c12
InChIInChI=1S/C40H24N4/c1-2-14-27-25(11-1)23-24-36-38(27)30-17-9-12-26-13-10-22-35(37(26)30)44(36)40-39(41-31-18-5-6-19-32(31)42-40)43-33-20-7-3-15-28(33)29-16-4-8-21-34(29)43/h1-24H
InChIKeyQANWPOPHEFCGCM-UHFFFAOYSA-N
MW560.66 g/mol
LogP10.48
Rot. Bonds2

About 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

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 (PubChem CID 146214081) has the molecular formula C40H24N4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-(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
PubChem CID146214081
Molecular FormulaC40H24N4
Molecular Weight560.66 g/mol
Exact Mass560.20
IUPAC Name12-(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
SMILESc1ccc2c3c(ccc2c1)N(c1nc2ccccc2nc1-n1c2ccccc2c2ccccc21)c1cccc2cccc-3c12
InChIInChI=1S/C40H24N4/c1-2-14-27-25(11-1)23-24-36-38(27)30-17-9-12-26-13-10-22-35(37(26)30)44(36)40-39(41-31-18-5-6-19-32(31)42-40)43-33-20-7-3-15-28(33)29-16-4-8-21-34(29)43/h1-24H
InChIKeyQANWPOPHEFCGCM-UHFFFAOYSA-N
XLogP10.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

12-[2-(3-phenylquinoxalin-2-yl)phenyl]-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 170370004
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
N-[4-[4-(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-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129133944
12-[1-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-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 155788761
12-[4-(4-quinolin-8-ylphenyl)quinazolin-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 155788802
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 155788920
12-[4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-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 155788905
12-[3-[4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-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 155789244
2-[4-(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-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 155788765
15-(8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaen-17-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 146390274
14-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 146390335

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c3c(ccc2c1)N(c1nc2ccccc2nc1-n1c2ccccc2c2ccccc21)c1cccc2cccc-3c12.
What is the InChIKey of 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?
The InChIKey is QANWPOPHEFCGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4/c1-2-14-27-25(11-1)23-24-36-38(27)30-17-9-12-26-13-10-22-35(37(26)30)44(36)40-39(41-31-18-5-6-19-32(31)42-40)43-33-20-7-3-15-28(33)29-16-4-8-21-34(29)43/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 560.66 g/mol, XLogP of 10.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146214081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).