15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

C42H26FN3 — CID 176965396

IUPAC15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
SMILESFc1cccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C42H26FN3/c43-27-12-11-17-30(26-27)44-37-24-22-33-31-18-7-9-20-35(31)45(28-13-3-1-4-14-28)41(33)39(37)40-38(44)25-23-34-32-19-8-10-21-36(32)46(42(34)40)29-15-5-2-6-16-29/h1-26H
InChIKeyXMXKCMVGSCQJPV-UHFFFAOYSA-N
MW591.69 g/mol
LogP11.12
Rot. Bonds3

About 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (PubChem CID 176965396) has the molecular formula C42H26FN3 and a molecular weight of 591.69 g/mol. Its IUPAC name is 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

Compound Name15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
PubChem CID176965396
Molecular FormulaC42H26FN3
Molecular Weight591.69 g/mol
Exact Mass591.21
IUPAC Name15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
SMILESFc1cccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C42H26FN3/c43-27-12-11-17-30(26-27)44-37-24-22-33-31-18-7-9-20-35(31)45(28-13-3-1-4-14-28)41(33)39(37)40-38(44)25-23-34-32-19-8-10-21-36(32)46(42(34)40)29-15-5-2-6-16-29/h1-26H
InChIKeyXMXKCMVGSCQJPV-UHFFFAOYSA-N
XLogP11.12
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.69
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene with MolForge

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Related Compounds

5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 142290041
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746

Frequently Asked Questions

What is the IUPAC name of 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The IUPAC name of 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (CID 176965396) is 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.
What is the SMILES notation for 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The canonical SMILES for 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is Fc1cccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The InChIKey is XMXKCMVGSCQJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26FN3/c43-27-12-11-17-30(26-27)44-37-24-22-33-31-18-7-9-20-35(31)45(28-13-3-1-4-14-28)41(33)39(37)40-38(44)25-23-34-32-19-8-10-21-36(32)46(42(34)40)29-15-5-2-6-16-29/h1-26H.
What are the key properties of 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene has a molecular weight of 591.69 g/mol, XLogP of 11.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 176965396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).