23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene

C48H30N4 — CID 166896382

IUPAC23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene
SMILESC1=CC2C3c4c1cccc4-c1ccccc1-c1cccc(c13)N2c1nc2ccccc2nc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C48H30N4/c1-2-13-31(14-3-1)51-40-22-9-6-17-34(40)35-26-24-30(28-43(35)51)47-48(50-39-21-8-7-20-38(39)49-47)52-41-23-11-19-37-33-16-5-4-15-32(33)36-18-10-12-29-25-27-42(52)46(44(29)36)45(37)41/h1-28,42,46H
InChIKeyMHZBLAZYLVMJRP-UHFFFAOYSA-N
MW662.80 g/mol
LogP11.72
Rot. Bonds3

About 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene

23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene (PubChem CID 166896382) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene.

Molecular Properties

Compound Name23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene
PubChem CID166896382
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene
SMILESC1=CC2C3c4c1cccc4-c1ccccc1-c1cccc(c13)N2c1nc2ccccc2nc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C48H30N4/c1-2-13-31(14-3-1)51-40-22-9-6-17-34(40)35-26-24-30(28-43(35)51)47-48(50-39-21-8-7-20-38(39)49-47)52-41-23-11-19-37-33-16-5-4-15-32(33)36-18-10-12-29-25-27-42(52)46(44(29)36)45(37)41/h1-28,42,46H
InChIKeyMHZBLAZYLVMJRP-UHFFFAOYSA-N
XLogP11.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene with MolForge

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Related Compounds

27-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-27-azaoctacyclo[17.7.1.04,25.07,24.010,23.013,22.016,21.020,26]heptacosa-1(26),2,4(25),5,7(24),8,10(23),11,13(22),14,16(21),17,19-tridecaene
CID 162770212
26-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570657
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361945
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole
CID 155114316
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 121255091
1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375248
7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146374777

Frequently Asked Questions

What is the IUPAC name of 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene?
The IUPAC name of 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene (CID 166896382) is 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene.
What is the SMILES notation for 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene?
The canonical SMILES for 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene is C1=CC2C3c4c1cccc4-c1ccccc1-c1cccc(c13)N2c1nc2ccccc2nc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene?
The InChIKey is MHZBLAZYLVMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-13-31(14-3-1)51-40-22-9-6-17-34(40)35-26-24-30(28-43(35)51)47-48(50-39-21-8-7-20-38(39)49-47)52-41-23-11-19-37-33-16-5-4-15-32(33)36-18-10-12-29-25-27-42(52)46(44(29)36)45(37)41/h1-28,42,46H.
What are the key properties of 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene?
23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene has a molecular weight of 662.80 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-2(7),3,5,8,10,12,14,16,18(22),19-decaene is sourced from PubChem (CID 166896382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).