2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline

C59H40N4O — CID 146497793

IUPAC2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
SMILESCC1C=CC=C(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c6c5)cc4)n3)cc2)C1
InChIInChI=1S/C59H40N4O/c1-37-11-9-16-46(35-37)40-23-29-44(30-24-40)58-61-57(43-27-21-39(22-28-43)38-12-3-2-4-13-38)62-59(63-58)45-31-25-41(26-32-45)47-33-34-52-51(36-47)56-54(50-18-7-8-20-53(50)64-56)55(60-52)49-19-10-15-42-14-5-6-17-48(42)49/h2-34,36-37H,35H2,1H3
InChIKeyOEKJQSKDUAIDOP-UHFFFAOYSA-N
MW821.00 g/mol
LogP15.45
Rot. Bonds7

About 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline

2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline (PubChem CID 146497793) has the molecular formula C59H40N4O and a molecular weight of 821.00 g/mol. Its IUPAC name is 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
PubChem CID146497793
Molecular FormulaC59H40N4O
Molecular Weight821.00 g/mol
Exact Mass820.32
IUPAC Name2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
SMILESCC1C=CC=C(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c6c5)cc4)n3)cc2)C1
InChIInChI=1S/C59H40N4O/c1-37-11-9-16-46(35-37)40-23-29-44(30-24-40)58-61-57(43-27-21-39(22-28-43)38-12-3-2-4-13-38)62-59(63-58)45-31-25-41(26-32-45)47-33-34-52-51(36-47)56-54(50-18-7-8-20-53(50)64-56)55(60-52)49-19-10-15-42-14-5-6-17-48(42)49/h2-34,36-37H,35H2,1H3
InChIKeyOEKJQSKDUAIDOP-UHFFFAOYSA-N
XLogP15.45
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.00
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline with MolForge

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Related Compounds

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 147586920
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 160700548
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159296386
6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155018769
2-naphthalen-1-yl-4-(4-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742716
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159893353
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 146497836
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 159208393
4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159309562
2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496724
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158962614

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline (CID 146497793) is 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline is CC1C=CC=C(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c6c5)cc4)n3)cc2)C1.
What is the InChIKey of 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is OEKJQSKDUAIDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4O/c1-37-11-9-16-46(35-37)40-23-29-44(30-24-40)58-61-57(43-27-21-39(22-28-43)38-12-3-2-4-13-38)62-59(63-58)45-31-25-41(26-32-45)47-33-34-52-51(36-47)56-54(50-18-7-8-20-53(50)64-56)55(60-52)49-19-10-15-42-14-5-6-17-48(42)49/h2-34,36-37H,35H2,1H3.
What are the key properties of 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?
2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 821.00 g/mol, XLogP of 15.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 146497793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).