5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine

C68H45N5 — CID 129201152

IUPAC5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc(-c4cccc5c(-c6nc7ccccc7c7ccncc67)cccc45)c3)=N2)cc1
InChIInChI=1S/C68H45N5/c1-5-19-44(20-6-1)65-71-66(45-21-7-2-8-22-45)73-67(72-65)49-40-47(46-35-36-57-56-27-13-15-33-61(56)68(62(57)42-46,50-23-9-3-10-24-50)51-25-11-4-12-26-51)39-48(41-49)52-29-17-31-54-53(52)30-18-32-59(54)64-60-43-69-38-37-55(60)58-28-14-16-34-63(58)70-64/h1-43,65H,(H,71,72,73)
InChIKeyHCGKXIXLIOFGEV-UHFFFAOYSA-N
MW932.14 g/mol
LogP15.80
Rot. Bonds8

About 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine

5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine (PubChem CID 129201152) has the molecular formula C68H45N5 and a molecular weight of 932.14 g/mol. Its IUPAC name is 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
PubChem CID129201152
Molecular FormulaC68H45N5
Molecular Weight932.14 g/mol
Exact Mass931.37
IUPAC Name5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc(-c4cccc5c(-c6nc7ccccc7c7ccncc67)cccc45)c3)=N2)cc1
InChIInChI=1S/C68H45N5/c1-5-19-44(20-6-1)65-71-66(45-21-7-2-8-22-45)73-67(72-65)49-40-47(46-35-36-57-56-27-13-15-33-61(56)68(62(57)42-46,50-23-9-3-10-24-50)51-25-11-4-12-26-51)39-48(41-49)52-29-17-31-54-53(52)30-18-32-59(54)64-60-43-69-38-37-55(60)58-28-14-16-34-63(58)70-64/h1-43,65H,(H,71,72,73)
InChIKeyHCGKXIXLIOFGEV-UHFFFAOYSA-N
XLogP15.80
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.14
LogP ≤ 515.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine with MolForge

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Related Compounds

5-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
CID 137208883
5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
CID 137208878
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039
6-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-4-triphenylen-2-yl-1,2-dihydro-1,3,5-triazine
CID 174243644
14-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-thioxanthene]
CID 146615950
6-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 137145017
2-phenyl-4-(4-phenylphenyl)-6-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,5-triazine
CID 88890940
3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116760
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
5-[4-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-5-(4-naphthalen-1-ylphenyl)phenyl]phenyl]benzo[c][2,7]naphthyridine
CID 129200720
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine?
The IUPAC name of 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine (CID 129201152) is 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine.
What is the SMILES notation for 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine?
The canonical SMILES for 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine is c1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc(-c4cccc5c(-c6nc7ccccc7c7ccncc67)cccc45)c3)=N2)cc1.
What is the InChIKey of 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine?
The InChIKey is HCGKXIXLIOFGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N5/c1-5-19-44(20-6-1)65-71-66(45-21-7-2-8-22-45)73-67(72-65)49-40-47(46-35-36-57-56-27-13-15-33-61(56)68(62(57)42-46,50-23-9-3-10-24-50)51-25-11-4-12-26-51)39-48(41-49)52-29-17-31-54-53(52)30-18-32-59(54)64-60-43-69-38-37-55(60)58-28-14-16-34-63(58)70-64/h1-43,65H,(H,71,72,73).
What are the key properties of 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine?
5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine has a molecular weight of 932.14 g/mol, XLogP of 15.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine is sourced from PubChem (CID 129201152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).