12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C46H28N4 — CID 139362045

IUPAC12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6cc7ccccc7cc6c6cc7ccccc7cc65)c5nccnc45)cc32)cc1
InChIInChI=1S/C46H28N4/c1-2-14-34(15-3-1)49-40-17-9-8-16-36(40)37-19-18-33(28-42(37)49)35-20-21-41(46-45(35)47-22-23-48-46)50-43-26-31-12-6-4-10-29(31)24-38(43)39-25-30-11-5-7-13-32(30)27-44(39)50/h1-28H
InChIKeyXEMINYCSWFJQBD-UHFFFAOYSA-N
MW636.76 g/mol
LogP11.80
Rot. Bonds3

About 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 139362045) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

Compound Name12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
PubChem CID139362045
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6cc7ccccc7cc6c6cc7ccccc7cc65)c5nccnc45)cc32)cc1
InChIInChI=1S/C46H28N4/c1-2-14-34(15-3-1)49-40-17-9-8-16-36(40)37-19-18-33(28-42(37)49)35-20-21-41(46-45(35)47-22-23-48-46)50-43-26-31-12-6-4-10-29(31)24-38(43)39-25-30-11-5-7-13-32(30)27-44(39)50/h1-28H
InChIKeyXEMINYCSWFJQBD-UHFFFAOYSA-N
XLogP11.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene with MolForge

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Related Compounds

5-(8-phenylquinoxalin-5-yl)benzo[b]carbazole
CID 139361603
5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole
CID 139361350
5-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621268
5-[6-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 155450894
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420798
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146621349
5-(8-dibenzofuran-1-ylquinoxalin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-1-ylquinoxalin-5-yl)benzo[b]carbazole;5-[8-(9-phenylcarbazol-4-yl)quinoxalin-5-yl]benzo[b]carbazole
CID 161376811
10-phenyl-20-(9-phenylcarbazol-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310187
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587992
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole
CID 121287357

Frequently Asked Questions

What is the IUPAC name of 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 139362045) is 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6cc7ccccc7cc6c6cc7ccccc7cc65)c5nccnc45)cc32)cc1.
What is the InChIKey of 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is XEMINYCSWFJQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-2-14-34(15-3-1)49-40-17-9-8-16-36(40)37-19-18-33(28-42(37)49)35-20-21-41(46-45(35)47-22-23-48-46)50-43-26-31-12-6-4-10-29(31)24-38(43)39-25-30-11-5-7-13-32(30)27-44(39)50/h1-28H.
What are the key properties of 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 636.76 g/mol, XLogP of 11.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 139362045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).