2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C46H31N3O — CID 169281799

IUPAC2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc6c5-c5ccccc5OC6)c4)n3)cc2)cc1
InChIInChI=1S/C46H31N3O/c1-3-11-31(12-4-1)33-21-25-35(26-22-33)44-47-45(36-27-23-34(24-28-36)32-13-5-2-6-14-32)49-46(48-44)38-16-9-15-37(29-38)40-19-10-17-39-30-50-42-20-8-7-18-41(42)43(39)40/h1-29H,30H2
InChIKeyDQSLDAYDMOHAKI-UHFFFAOYSA-N
MW641.77 g/mol
LogP11.43
Rot. Bonds6

About 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 169281799) has the molecular formula C46H31N3O and a molecular weight of 641.77 g/mol. Its IUPAC name is 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID169281799
Molecular FormulaC46H31N3O
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc6c5-c5ccccc5OC6)c4)n3)cc2)cc1
InChIInChI=1S/C46H31N3O/c1-3-11-31(12-4-1)33-21-25-35(26-22-33)44-47-45(36-27-23-34(24-28-36)32-13-5-2-6-14-32)49-46(48-44)38-16-9-15-37(29-38)40-19-10-17-39-30-50-42-20-8-7-18-41(42)43(39)40/h1-29H,30H2
InChIKeyDQSLDAYDMOHAKI-UHFFFAOYSA-N
XLogP11.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-6H-benzo[c]chromene
CID 169281806
2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 169281861
2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169281789
2-[4-(6H-benzo[c]chromen-10-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyridine
CID 169281865
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 157451002
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297196
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 169281799) is 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc6c5-c5ccccc5OC6)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is DQSLDAYDMOHAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O/c1-3-11-31(12-4-1)33-21-25-35(26-22-33)44-47-45(36-27-23-34(24-28-36)32-13-5-2-6-14-32)49-46(48-44)38-16-9-15-37(29-38)40-19-10-17-39-30-50-42-20-8-7-18-41(42)43(39)40/h1-29H,30H2.
What are the key properties of 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 641.77 g/mol, XLogP of 11.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169281799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).