14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene

C43H28N4 — CID 118203425

IUPAC14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
SMILESc1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5-c5ccccn5)c4c3c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C43H28N4/c1-3-15-29(16-4-1)45-38-25-12-9-21-34(38)42-43(45)40-39(46(42)30-17-5-2-6-18-30)27-26-32-31-19-7-10-23-36(31)47(41(32)40)37-24-11-8-20-33(37)35-22-13-14-28-44-35/h1-28H
InChIKeyDVPXBUFGWNLKPF-UHFFFAOYSA-N
MW600.73 g/mol
LogP10.89
Rot. Bonds4

About 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene

14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene (PubChem CID 118203425) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene.

Molecular Properties

Compound Name14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
PubChem CID118203425
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
SMILESc1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5-c5ccccn5)c4c3c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C43H28N4/c1-3-15-29(16-4-1)45-38-25-12-9-21-34(38)42-43(45)40-39(46(42)30-17-5-2-6-18-30)27-26-32-31-19-7-10-23-36(31)47(41(32)40)37-24-11-8-20-33(37)35-22-13-14-28-44-35/h1-28H
InChIKeyDVPXBUFGWNLKPF-UHFFFAOYSA-N
XLogP10.89
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene with MolForge

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Related Compounds

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CID 145009858
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
9-phenyl-14-(8-pyridin-2-yl-9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134488194
15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122524051
11-phenyl-12-(2-phenyl-3-pyridinyl)indolo[2,3-a]carbazole
CID 145009951
2-phenyl-8-[12-(2-pyridin-2-ylphenyl)indolo[3,2-c]carbazol-5-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 172515267
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 162363133

Frequently Asked Questions

What is the IUPAC name of 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene?
The IUPAC name of 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene (CID 118203425) is 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene.
What is the SMILES notation for 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene?
The canonical SMILES for 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene is c1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5-c5ccccn5)c4c3c3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene?
The InChIKey is DVPXBUFGWNLKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-3-15-29(16-4-1)45-38-25-12-9-21-34(38)42-43(45)40-39(46(42)30-17-5-2-6-18-30)27-26-32-31-19-7-10-23-36(31)47(41(32)40)37-24-11-8-20-33(37)35-22-13-14-28-44-35/h1-28H.
What are the key properties of 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene?
14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene has a molecular weight of 600.73 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene is sourced from PubChem (CID 118203425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).