2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine

C60H41N3 — CID 129099680

IUPAC2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc4ccccc4cc3-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6c5ccc5ccccc65)cc4)cc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C60H41N3/c1-4-17-44(18-5-1)57-61-58(45-19-6-2-7-20-45)63-59(62-57)53-39-47-22-11-10-21-46(47)38-52(53)43-30-28-40(29-31-43)41-32-35-49(36-33-41)60(48-23-8-3-9-24-48)54-27-15-14-26-51(54)56-50-25-13-12-16-42(50)34-37-55(56)60/h1-39,59H,(H,61,62,63)
InChIKeyWCTVGCKPEMGDPL-UHFFFAOYSA-N
MW804.01 g/mol
LogP14.19
Rot. Bonds7

About 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine

2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 129099680) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID129099680
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc4ccccc4cc3-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6c5ccc5ccccc65)cc4)cc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C60H41N3/c1-4-17-44(18-5-1)57-61-58(45-19-6-2-7-20-45)63-59(62-57)53-39-47-22-11-10-21-46(47)38-52(53)43-30-28-40(29-31-43)41-32-35-49(36-33-41)60(48-23-8-3-9-24-48)54-27-15-14-26-51(54)56-50-25-13-12-16-42(50)34-37-55(56)60/h1-39,59H,(H,61,62,63)
InChIKeyWCTVGCKPEMGDPL-UHFFFAOYSA-N
XLogP14.19
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 514.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099120
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
4-[4-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile
CID 135245304
2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931855
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 146334619
CID 129099533
CID 129099533
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465814
7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
CID 158070567
2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 170412039
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-(2-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 157487558

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine (CID 129099680) is 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cc4ccccc4cc3-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6c5ccc5ccccc65)cc4)cc3)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is WCTVGCKPEMGDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-4-17-44(18-5-1)57-61-58(45-19-6-2-7-20-45)63-59(62-57)53-39-47-22-11-10-21-46(47)38-52(53)43-30-28-40(29-31-43)41-32-35-49(36-33-41)60(48-23-8-3-9-24-48)54-27-15-14-26-51(54)56-50-25-13-12-16-42(50)34-37-55(56)60/h1-39,59H,(H,61,62,63).
What are the key properties of 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine?
2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 804.01 g/mol, XLogP of 14.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 129099680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).