CID 166902972

C64H56N2O — CID 166902972

IUPAC—
SMILESC1=C(C2=CCCC3=C2c2cc4c(cc2C32CCCCC2)-c2ccccc2C42CCCCC2)CCC2Oc3c(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)cccc3C12
InChIInChI=1S/C64H56N2O/c1-6-20-41(21-7-1)58-59(42-22-8-2-9-23-42)66-61(60(65-58)43-24-10-3-11-25-43)48-29-18-28-47-50-38-44(32-33-56(50)67-62(47)48)45-27-19-31-53-57(45)51-40-54-49(39-55(51)64(53)36-16-5-17-37-64)46-26-12-13-30-52(46)63(54)34-14-4-15-35-63/h1-3,6-13,18,20-30,38-40,50,56H,4-5,14-17,19,31-37H2
InChIKeyODYCXUAHBSAREX-UHFFFAOYSA-N
MW869.17 g/mol
LogP16.33
Rot. Bonds5

About CID 166902972

CID 166902972 (PubChem CID 166902972) has the molecular formula C64H56N2O and a molecular weight of 869.17 g/mol.

Molecular Properties

Compound NameCID 166902972
PubChem CID166902972
Molecular FormulaC64H56N2O
Molecular Weight869.17 g/mol
Exact Mass868.44
IUPAC Name—
SMILESC1=C(C2=CCCC3=C2c2cc4c(cc2C32CCCCC2)-c2ccccc2C42CCCCC2)CCC2Oc3c(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)cccc3C12
InChIInChI=1S/C64H56N2O/c1-6-20-41(21-7-1)58-59(42-22-8-2-9-23-42)66-61(60(65-58)43-24-10-3-11-25-43)48-29-18-28-47-50-38-44(32-33-56(50)67-62(47)48)45-27-19-31-53-57(45)51-40-54-49(39-55(51)64(53)36-16-5-17-37-64)46-26-12-13-30-52(46)63(54)34-14-4-15-35-63/h1-3,6-13,18,20-30,38-40,50,56H,4-5,14-17,19,31-37H2
InChIKeyODYCXUAHBSAREX-UHFFFAOYSA-N
XLogP16.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.17
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 166902546
CID 166902546
2-[4-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166903120
2-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-4'-yl)phenyl]-3,5,6-triphenylpyrazine
CID 166902209
2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166902522
CID 166902028
CID 166902028
CID 166901869
CID 166901869
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine
CID 161402725
CID 166902492
CID 166902492
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-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-3,5,6-triphenylpyrazine
CID 166901765
2-[3-(6'-chlorospiro[cyclohexane-1,9'-fluorene]-3'-yl)phenyl]-3,5,6-triphenylpyrazine
CID 162443853

Frequently Asked Questions

What is the IUPAC name of CID 166902972?
The IUPAC name of CID 166902972 (CID 166902972) is not available.
What is the SMILES notation for CID 166902972?
The canonical SMILES for CID 166902972 is C1=C(C2=CCCC3=C2c2cc4c(cc2C32CCCCC2)-c2ccccc2C42CCCCC2)CCC2Oc3c(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)cccc3C12.
What is the InChIKey of CID 166902972?
The InChIKey is ODYCXUAHBSAREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N2O/c1-6-20-41(21-7-1)58-59(42-22-8-2-9-23-42)66-61(60(65-58)43-24-10-3-11-25-43)48-29-18-28-47-50-38-44(32-33-56(50)67-62(47)48)45-27-19-31-53-57(45)51-40-54-49(39-55(51)64(53)36-16-5-17-37-64)46-26-12-13-30-52(46)63(54)34-14-4-15-35-63/h1-3,6-13,18,20-30,38-40,50,56H,4-5,14-17,19,31-37H2.
What are the key properties of CID 166902972?
CID 166902972 has a molecular weight of 869.17 g/mol, XLogP of 16.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166902972 is sourced from PubChem (CID 166902972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).