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

C44H27N3 — CID 155020555

IUPAC12-[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
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)c1c2ccccc2ccc1n3-c1nc2ccccc2nc1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C44H27N3/c1-6-15-32-26(10-1)20-21-40-42(32)37-25-35-29(22-27-11-2-5-14-31(27)35)24-41(37)47(40)44-43(45-38-18-7-8-19-39(38)46-44)34-17-9-16-33-30-13-4-3-12-28(30)23-36(33)34/h1-21,24-25H,22-23H2
InChIKeyDZGUJTXFYKPSQL-UHFFFAOYSA-N
MW597.72 g/mol
LogP10.69
Rot. Bonds2

About 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

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 (PubChem CID 155020555) has the molecular formula C44H27N3 and a molecular weight of 597.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID155020555
Molecular FormulaC44H27N3
Molecular Weight597.72 g/mol
Exact Mass597.22
IUPAC Name12-[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
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)c1c2ccccc2ccc1n3-c1nc2ccccc2nc1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C44H27N3/c1-6-15-32-26(10-1)20-21-40-42(32)37-25-35-29(22-27-11-2-5-14-31(27)35)24-41(37)47(40)44-43(45-38-18-7-8-19-39(38)46-44)34-17-9-16-33-30-13-4-3-12-28(30)23-36(33)34/h1-21,24-25H,22-23H2
InChIKeyDZGUJTXFYKPSQL-UHFFFAOYSA-N
XLogP10.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane
CID 163722227
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
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
10-carbazol-9-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-carbazol-9-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163468032
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
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481423
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481137
2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979695
12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]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;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]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 158692677
1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane
CID 167644230

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2ccccc2ccc1n3-c1nc2ccccc2nc1-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is DZGUJTXFYKPSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3/c1-6-15-32-26(10-1)20-21-40-42(32)37-25-35-29(22-27-11-2-5-14-31(27)35)24-41(37)47(40)44-43(45-38-18-7-8-19-39(38)46-44)34-17-9-16-33-30-13-4-3-12-28(30)23-36(33)34/h1-21,24-25H,22-23H2.
What are the key properties of 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?
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 has a molecular weight of 597.72 g/mol, XLogP of 10.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155020555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).