CID 166902492

C58H50N2O — CID 166902492

IUPAC—
SMILESC1=C(c2ccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccccc34)cc2)CCC(c2ccc3c(c2)-c2cc4c(cc2C32CCCCC2)-c2ccccc2C42CCCCC2)C1
InChIInChI=1S/C58H50N2O/c1-4-14-40(15-5-1)54-53-44-17-7-9-19-52(44)61-56(53)60-55(59-54)41-26-24-38(25-27-41)37-20-22-39(23-21-37)42-28-29-49-45(34-42)47-36-50-46(35-51(47)58(49)32-12-3-13-33-58)43-16-6-8-18-48(43)57(50)30-10-2-11-31-57/h1,4-9,14-20,24-29,34-36,39H,2-3,10-13,21-23,30-33H2
InChIKeyIQVHNXIELLDELR-UHFFFAOYSA-N
MW791.05 g/mol
LogP15.52
Rot. Bonds4

About CID 166902492

CID 166902492 (PubChem CID 166902492) has the molecular formula C58H50N2O and a molecular weight of 791.05 g/mol.

Molecular Properties

Compound NameCID 166902492
PubChem CID166902492
Molecular FormulaC58H50N2O
Molecular Weight791.05 g/mol
Exact Mass790.39
IUPAC Name—
SMILESC1=C(c2ccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccccc34)cc2)CCC(c2ccc3c(c2)-c2cc4c(cc2C32CCCCC2)-c2ccccc2C42CCCCC2)C1
InChIInChI=1S/C58H50N2O/c1-4-14-40(15-5-1)54-53-44-17-7-9-19-52(44)61-56(53)60-55(59-54)41-26-24-38(25-27-41)37-20-22-39(23-21-37)42-28-29-49-45(34-42)47-36-50-46(35-51(47)58(49)32-12-3-13-33-58)43-16-6-8-18-48(43)57(50)30-10-2-11-31-57/h1,4-9,14-20,24-29,34-36,39H,2-3,10-13,21-23,30-33H2
InChIKeyIQVHNXIELLDELR-UHFFFAOYSA-N
XLogP15.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.05
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 166902124
CID 166902028
CID 166902028
4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 166902107
2-[4-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-4'-yl)cyclohexa-2,4-dien-1-yl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 166902381
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 159562639
CID 166902101
CID 166902101
4-dibenzofuran-3-yl-6-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]-2-phenylpyrimidine
CID 166901830
2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489906
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
CID 166901834
CID 166901834
4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166901756
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 158731147

Frequently Asked Questions

What is the IUPAC name of CID 166902492?
The IUPAC name of CID 166902492 (CID 166902492) is not available.
What is the SMILES notation for CID 166902492?
The canonical SMILES for CID 166902492 is C1=C(c2ccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccccc34)cc2)CCC(c2ccc3c(c2)-c2cc4c(cc2C32CCCCC2)-c2ccccc2C42CCCCC2)C1.
What is the InChIKey of CID 166902492?
The InChIKey is IQVHNXIELLDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N2O/c1-4-14-40(15-5-1)54-53-44-17-7-9-19-52(44)61-56(53)60-55(59-54)41-26-24-38(25-27-41)37-20-22-39(23-21-37)42-28-29-49-45(34-42)47-36-50-46(35-51(47)58(49)32-12-3-13-33-58)43-16-6-8-18-48(43)57(50)30-10-2-11-31-57/h1,4-9,14-20,24-29,34-36,39H,2-3,10-13,21-23,30-33H2.
What are the key properties of CID 166902492?
CID 166902492 has a molecular weight of 791.05 g/mol, XLogP of 15.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166902492 is sourced from PubChem (CID 166902492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).