7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile

C40H30N4 — CID 171440669

IUPAC7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile
SMILESN#Cc1cccc2c1C1(CCCCC1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc1-2
InChIInChI=1S/C40H30N4/c41-26-32-15-10-16-34-33-22-21-31(25-35(33)40(36(32)34)23-8-3-9-24-40)39-43-37(29-13-6-2-7-14-29)42-38(44-39)30-19-17-28(18-20-30)27-11-4-1-5-12-27/h1-2,4-7,10-22,25H,3,8-9,23-24H2
InChIKeyDVWWXFZFYIPWBK-UHFFFAOYSA-N
MW566.71 g/mol
LogP9.64
Rot. Bonds4

About 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile

7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile (PubChem CID 171440669) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile.

Molecular Properties

Compound Name7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile
PubChem CID171440669
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile
SMILESN#Cc1cccc2c1C1(CCCCC1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc1-2
InChIInChI=1S/C40H30N4/c41-26-32-15-10-16-34-33-22-21-31(25-35(33)40(36(32)34)23-8-3-9-24-40)39-43-37(29-13-6-2-7-14-29)42-38(44-39)30-19-17-28(18-20-30)27-11-4-1-5-12-27/h1-2,4-7,10-22,25H,3,8-9,23-24H2
InChIKeyDVWWXFZFYIPWBK-UHFFFAOYSA-N
XLogP9.64
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440822
7'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440631
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
2,4-diphenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)pyrimidine
CID 161309935
7'-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile
CID 171440743
spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile
CID 23151763
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]-1,3,5-triazine
CID 158141122

Frequently Asked Questions

What is the IUPAC name of 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile?
The IUPAC name of 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile (CID 171440669) is 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile.
What is the SMILES notation for 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile?
The canonical SMILES for 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile is N#Cc1cccc2c1C1(CCCCC1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc1-2.
What is the InChIKey of 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile?
The InChIKey is DVWWXFZFYIPWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c41-26-32-15-10-16-34-33-22-21-31(25-35(33)40(36(32)34)23-8-3-9-24-40)39-43-37(29-13-6-2-7-14-29)42-38(44-39)30-19-17-28(18-20-30)27-11-4-1-5-12-27/h1-2,4-7,10-22,25H,3,8-9,23-24H2.
What are the key properties of 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile?
7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile has a molecular weight of 566.71 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile is sourced from PubChem (CID 171440669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).