2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine

C55H35N3 — CID 156512694

IUPAC2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4c5ccccc5-c5cc6c(cc54)C(c4ccccc4)c4ccc5ccccc5c4-6)c4ccccc34)n2)cc1
InChIInChI=1S/C55H35N3/c1-4-17-35(18-5-1)50-45-29-28-34-16-10-11-23-38(34)51(45)49-32-46-41-26-14-15-27-42(41)52(47(46)33-48(49)50)43-30-31-44(40-25-13-12-24-39(40)43)55-57-53(36-19-6-2-7-20-36)56-54(58-55)37-21-8-3-9-22-37/h1-33,50,52H
InChIKeyZEXNQGFZZNZNQH-UHFFFAOYSA-N
MW737.91 g/mol
LogP13.50
Rot. Bonds5

About 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 156512694) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID156512694
Molecular FormulaC55H35N3
Molecular Weight737.91 g/mol
Exact Mass737.28
IUPAC Name2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4c5ccccc5-c5cc6c(cc54)C(c4ccccc4)c4ccc5ccccc5c4-6)c4ccccc34)n2)cc1
InChIInChI=1S/C55H35N3/c1-4-17-35(18-5-1)50-45-29-28-34-16-10-11-23-38(34)51(45)49-32-46-41-26-14-15-27-42(41)52(47(46)33-48(49)50)43-30-31-44(40-25-13-12-24-39(40)43)55-57-53(36-19-6-2-7-20-36)56-54(58-55)37-21-8-3-9-22-37/h1-33,50,52H
InChIKeyZEXNQGFZZNZNQH-UHFFFAOYSA-N
XLogP13.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.91
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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 159880784
2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155115035
3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline
CID 126753332
2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597120
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775049
2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine
CID 168783650
2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167403516
9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 123329963
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine (CID 156512694) is 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4c5ccccc5-c5cc6c(cc54)C(c4ccccc4)c4ccc5ccccc5c4-6)c4ccccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is ZEXNQGFZZNZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-4-17-35(18-5-1)50-45-29-28-34-16-10-11-23-38(34)51(45)49-32-46-41-26-14-15-27-42(41)52(47(46)33-48(49)50)43-30-31-44(40-25-13-12-24-39(40)43)55-57-53(36-19-6-2-7-20-36)56-54(58-55)37-21-8-3-9-22-37/h1-33,50,52H.
What are the key properties of 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 737.91 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 156512694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).