1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole

C88H58N10 — CID 159508999

IUPAC1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cc(-c6ccc(-n7nnc8ccccc87)cc6)ccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc(-n7nnc8ccccc87)cc6)ccc45)cc3)n2)cc1
InChIInChI=1S/2C44H29N5/c1-3-10-32(11-4-1)41-29-42(46-44(45-41)34-12-5-2-6-13-34)33-20-18-31(19-21-33)38-15-9-14-36-28-35(24-27-39(36)38)30-22-25-37(26-23-30)49-43-17-8-7-16-40(43)47-48-49;1-3-10-32(11-4-1)41-29-42(33-12-5-2-6-13-33)46-44(45-41)34-20-18-31(19-21-34)38-15-9-14-36-28-35(24-27-39(36)38)30-22-25-37(26-23-30)49-43-17-8-7-16-40(43)47-48-49/h2*1-29H
InChIKeyMAJCDEZBOUBBED-UHFFFAOYSA-N
MW1255.50 g/mol
LogP21.40
Rot. Bonds12

About 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole

1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole (PubChem CID 159508999) has the molecular formula C88H58N10 and a molecular weight of 1255.50 g/mol. Its IUPAC name is 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole.

Molecular Properties

Compound Name1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole
PubChem CID159508999
Molecular FormulaC88H58N10
Molecular Weight1255.50 g/mol
Exact Mass1254.48
IUPAC Name1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cc(-c6ccc(-n7nnc8ccccc87)cc6)ccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc(-n7nnc8ccccc87)cc6)ccc45)cc3)n2)cc1
InChIInChI=1S/2C44H29N5/c1-3-10-32(11-4-1)41-29-42(46-44(45-41)34-12-5-2-6-13-34)33-20-18-31(19-21-33)38-15-9-14-36-28-35(24-27-39(36)38)30-22-25-37(26-23-30)49-43-17-8-7-16-40(43)47-48-49;1-3-10-32(11-4-1)41-29-42(33-12-5-2-6-13-33)46-44(45-41)34-20-18-31(19-21-34)38-15-9-14-36-28-35(24-27-39(36)38)30-22-25-37(26-23-30)49-43-17-8-7-16-40(43)47-48-49/h2*1-29H
InChIKeyMAJCDEZBOUBBED-UHFFFAOYSA-N
XLogP21.40
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001255.50
LogP ≤ 521.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole with MolForge

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Related Compounds

1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole
CID 121258116
9-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258076
4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 121338959
2-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159163792
2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine
CID 118075155
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 121258021
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 161259366
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287046
4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole;9-[4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 158118562

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole?
The IUPAC name of 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole (CID 159508999) is 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole.
What is the SMILES notation for 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole?
The canonical SMILES for 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole is c1ccc(-c2cc(-c3ccc(-c4cccc5cc(-c6ccc(-n7nnc8ccccc87)cc6)ccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc(-n7nnc8ccccc87)cc6)ccc45)cc3)n2)cc1.
What is the InChIKey of 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole?
The InChIKey is MAJCDEZBOUBBED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H29N5/c1-3-10-32(11-4-1)41-29-42(46-44(45-41)34-12-5-2-6-13-34)33-20-18-31(19-21-33)38-15-9-14-36-28-35(24-27-39(36)38)30-22-25-37(26-23-30)49-43-17-8-7-16-40(43)47-48-49;1-3-10-32(11-4-1)41-29-42(33-12-5-2-6-13-33)46-44(45-41)34-20-18-31(19-21-34)38-15-9-14-36-28-35(24-27-39(36)38)30-22-25-37(26-23-30)49-43-17-8-7-16-40(43)47-48-49/h2*1-29H.
What are the key properties of 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole?
1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole has a molecular weight of 1255.50 g/mol, XLogP of 21.40, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole is sourced from PubChem (CID 159508999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).