2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C33H20ClN3O — CID 170305773

IUPAC2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2)n1
InChIInChI=1S/C33H20ClN3O/c34-33-36-31(24-14-7-13-23(19-24)21-9-3-1-4-10-21)35-32(37-33)25-17-18-28-27(20-25)30-26(15-8-16-29(30)38-28)22-11-5-2-6-12-22/h1-20H
InChIKeyDJDLIENRUPWPIN-UHFFFAOYSA-N
MW510.00 g/mol
LogP9.09
Rot. Bonds4

About 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170305773) has the molecular formula C33H20ClN3O and a molecular weight of 510.00 g/mol. Its IUPAC name is 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170305773
Molecular FormulaC33H20ClN3O
Molecular Weight510.00 g/mol
Exact Mass509.13
IUPAC Name2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2)n1
InChIInChI=1S/C33H20ClN3O/c34-33-36-31(24-14-7-13-23(19-24)21-9-3-1-4-10-21)35-32(37-33)25-17-18-28-27(20-25)30-26(15-8-16-29(30)38-28)22-11-5-2-6-12-22/h1-20H
InChIKeyDJDLIENRUPWPIN-UHFFFAOYSA-N
XLogP9.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845082
2-chloro-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 148797499
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2,4-diphenyl-6-[2-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 161265664
2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845088

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 170305773) is 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2)n1.
What is the InChIKey of 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is DJDLIENRUPWPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20ClN3O/c34-33-36-31(24-14-7-13-23(19-24)21-9-3-1-4-10-21)35-32(37-33)25-17-18-28-27(20-25)30-26(15-8-16-29(30)38-28)22-11-5-2-6-12-22/h1-20H.
What are the key properties of 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 510.00 g/mol, XLogP of 9.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170305773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).