CID 166901869

C57H47N3 — CID 166901869

IUPAC—
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)c4)n3)cc2)cc1
InChIInChI=1S/C57H47N3/c1-5-17-38(18-6-1)39-27-29-41(30-28-39)54-58-53(40-19-7-2-8-20-40)59-55(60-54)43-22-15-21-42(35-43)44-24-16-26-49-52(44)47-37-50-46(36-51(47)57(49)33-13-4-14-34-57)45-23-9-10-25-48(45)56(50)31-11-3-12-32-56/h1-2,5-10,15-30,35-37H,3-4,11-14,31-34H2
InChIKeyLBLKHHUOJYSCCD-UHFFFAOYSA-N
MW774.02 g/mol
LogP14.67
Rot. Bonds5

About CID 166901869

CID 166901869 (PubChem CID 166901869) has the molecular formula C57H47N3 and a molecular weight of 774.02 g/mol.

Molecular Properties

Compound NameCID 166901869
PubChem CID166901869
Molecular FormulaC57H47N3
Molecular Weight774.02 g/mol
Exact Mass773.38
IUPAC Name—
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)c4)n3)cc2)cc1
InChIInChI=1S/C57H47N3/c1-5-17-38(18-6-1)39-27-29-41(30-28-39)54-58-53(40-19-7-2-8-20-40)59-55(60-54)43-22-15-21-42(35-43)44-24-16-26-49-52(44)47-37-50-46(36-51(47)57(49)33-13-4-14-34-57)45-23-9-10-25-48(45)56(50)31-11-3-12-32-56/h1-2,5-10,15-30,35-37H,3-4,11-14,31-34H2
InChIKeyLBLKHHUOJYSCCD-UHFFFAOYSA-N
XLogP14.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.02
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159255528
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160653174
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 159019694
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 146352321
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850
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
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159202142
2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 159060876
CID 166902101
CID 166902101
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372

Frequently Asked Questions

What is the IUPAC name of CID 166901869?
The IUPAC name of CID 166901869 (CID 166901869) is not available.
What is the SMILES notation for CID 166901869?
The canonical SMILES for CID 166901869 is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)c4)n3)cc2)cc1.
What is the InChIKey of CID 166901869?
The InChIKey is LBLKHHUOJYSCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N3/c1-5-17-38(18-6-1)39-27-29-41(30-28-39)54-58-53(40-19-7-2-8-20-40)59-55(60-54)43-22-15-21-42(35-43)44-24-16-26-49-52(44)47-37-50-46(36-51(47)57(49)33-13-4-14-34-57)45-23-9-10-25-48(45)56(50)31-11-3-12-32-56/h1-2,5-10,15-30,35-37H,3-4,11-14,31-34H2.
What are the key properties of CID 166901869?
CID 166901869 has a molecular weight of 774.02 g/mol, XLogP of 14.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166901869 is sourced from PubChem (CID 166901869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).