CID 166902546

C64H52N2 — CID 166902546

IUPAC—
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4cccc(-c5ccc6c(c5)C5(CCCCC5)c5cc7c(cc5-6)C5(CCCCC5)c5ccccc5-7)c4)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C64H52N2/c1-6-19-44(20-7-1)59-60(45-21-8-2-9-22-45)66-62(61(65-59)46-23-10-3-11-24-46)47-31-29-43(30-32-47)48-25-18-26-49(39-48)50-33-34-52-54-42-57-53(41-58(54)64(56(52)40-50)37-16-5-17-38-64)51-27-12-13-28-55(51)63(57)35-14-4-15-36-63/h1-3,6-13,18-34,39-42H,4-5,14-17,35-38H2
InChIKeyREKZVWMJXPIOOP-UHFFFAOYSA-N
MW849.13 g/mol
LogP16.94
Rot. Bonds6

About CID 166902546

CID 166902546 (PubChem CID 166902546) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol.

Molecular Properties

Compound NameCID 166902546
PubChem CID166902546
Molecular FormulaC64H52N2
Molecular Weight849.13 g/mol
Exact Mass848.41
IUPAC Name—
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4cccc(-c5ccc6c(c5)C5(CCCCC5)c5cc7c(cc5-6)C5(CCCCC5)c5ccccc5-7)c4)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C64H52N2/c1-6-19-44(20-7-1)59-60(45-21-8-2-9-22-45)66-62(61(65-59)46-23-10-3-11-24-46)47-31-29-43(30-32-47)48-25-18-26-49(39-48)50-33-34-52-54-42-57-53(41-58(54)64(56(52)40-50)37-16-5-17-38-64)51-27-12-13-28-55(51)63(57)35-14-4-15-36-63/h1-3,6-13,18-34,39-42H,4-5,14-17,35-38H2
InChIKeyREKZVWMJXPIOOP-UHFFFAOYSA-N
XLogP16.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
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-(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-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-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166902522
2-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
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-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-4'-yl)phenyl]-3,5,6-triphenylpyrazine
CID 166902209
CID 166901869
CID 166901869

Frequently Asked Questions

What is the IUPAC name of CID 166902546?
The IUPAC name of CID 166902546 (CID 166902546) is not available.
What is the SMILES notation for CID 166902546?
The canonical SMILES for CID 166902546 is c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4cccc(-c5ccc6c(c5)C5(CCCCC5)c5cc7c(cc5-6)C5(CCCCC5)c5ccccc5-7)c4)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of CID 166902546?
The InChIKey is REKZVWMJXPIOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2/c1-6-19-44(20-7-1)59-60(45-21-8-2-9-22-45)66-62(61(65-59)46-23-10-3-11-24-46)47-31-29-43(30-32-47)48-25-18-26-49(39-48)50-33-34-52-54-42-57-53(41-58(54)64(56(52)40-50)37-16-5-17-38-64)51-27-12-13-28-55(51)63(57)35-14-4-15-36-63/h1-3,6-13,18-34,39-42H,4-5,14-17,35-38H2.
What are the key properties of CID 166902546?
CID 166902546 has a molecular weight of 849.13 g/mol, XLogP of 16.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166902546 is sourced from PubChem (CID 166902546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).