12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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

C43H31N3 — CID 163588387

IUPAC12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3nc4ccccc4nc3-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)cc21
InChIInChI=1S/C43H31N3/c1-43(2)33-16-8-7-15-31(33)32-22-19-28(25-34(32)43)41-42(45-36-18-10-9-17-35(36)44-41)46-37-23-20-26-11-3-5-13-29(26)39(37)40-30-14-6-4-12-27(30)21-24-38(40)46/h3-6,8-14,16-25H,7,15H2,1-2H3
InChIKeyGNKPUTLPSHGMGD-UHFFFAOYSA-N
MW589.74 g/mol
LogP11.10
Rot. Bonds2

About 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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 (PubChem CID 163588387) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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.

Molecular Properties

Compound Name12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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
PubChem CID163588387
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3nc4ccccc4nc3-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)cc21
InChIInChI=1S/C43H31N3/c1-43(2)33-16-8-7-15-31(33)32-22-19-28(25-34(32)43)41-42(45-36-18-10-9-17-35(36)44-41)46-37-23-20-26-11-3-5-13-29(26)39(37)40-30-14-6-4-12-27(30)21-24-38(40)46/h3-6,8-14,16-25H,7,15H2,1-2H3
InChIKeyGNKPUTLPSHGMGD-UHFFFAOYSA-N
XLogP11.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]-16-thia-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 155020520
8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375005
10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane
CID 142569178
2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 166846343
15-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 162770065
10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481423
9-naphthalen-1-yl-12-[3-(4-phenylphenyl)quinoxalin-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 129149761
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142570363
9-dibenzothiophen-2-yl-12-(3-phenylquinoxalin-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 129149755
15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
CID 162770205
9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole
CID 89139288

Frequently Asked Questions

What is the IUPAC name of 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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?
The IUPAC name of 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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 163588387) is 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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.
What is the SMILES notation for 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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?
The canonical SMILES for 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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 is CC1(C)C2=C(CCC=C2)c2ccc(-c3nc4ccccc4nc3-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)cc21.
What is the InChIKey of 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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?
The InChIKey is GNKPUTLPSHGMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-43(2)33-16-8-7-15-31(33)32-22-19-28(25-34(32)43)41-42(45-36-18-10-9-17-35(36)44-41)46-37-23-20-26-11-3-5-13-29(26)39(37)40-30-14-6-4-12-27(30)21-24-38(40)46/h3-6,8-14,16-25H,7,15H2,1-2H3.
What are the key properties of 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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 has a molecular weight of 589.74 g/mol, XLogP of 11.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-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 is sourced from PubChem (CID 163588387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).