CID 145229229

C63H46N2 — CID 145229229

IUPAC—
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4C54C5=C(C=CCC5)c5ccccc54)n3)cc21
InChIInChI=1S/C63H46N2/c1-61(2)48-27-11-6-21-41(48)46-36-35-40(37-56(46)61)58-38-57(39-19-4-3-5-20-39)64-60(65-58)47-26-18-34-55-59(47)63(51-30-14-9-24-44(51)45-25-10-15-31-52(45)63)54-33-17-16-32-53(54)62(55)49-28-12-7-22-42(49)43-23-8-13-29-50(43)62/h3-5,7-12,14-20,22-28,30-38H,6,13,21,29H2,1-2H3
InChIKeyZRMAJUJOYLMEMA-UHFFFAOYSA-N
MW831.07 g/mol
LogP15.00
Rot. Bonds3

About CID 145229229

CID 145229229 (PubChem CID 145229229) has the molecular formula C63H46N2 and a molecular weight of 831.07 g/mol.

Molecular Properties

Compound NameCID 145229229
PubChem CID145229229
Molecular FormulaC63H46N2
Molecular Weight831.07 g/mol
Exact Mass830.37
IUPAC Name—
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4C54C5=C(C=CCC5)c5ccccc54)n3)cc21
InChIInChI=1S/C63H46N2/c1-61(2)48-27-11-6-21-41(48)46-36-35-40(37-56(46)61)58-38-57(39-19-4-3-5-20-39)64-60(65-58)47-26-18-34-55-59(47)63(51-30-14-9-24-44(51)45-25-10-15-31-52(45)63)54-33-17-16-32-53(54)62(55)49-28-12-7-22-42(49)43-23-8-13-29-50(43)62/h3-5,7-12,14-20,22-28,30-38H,6,13,21,29H2,1-2H3
InChIKeyZRMAJUJOYLMEMA-UHFFFAOYSA-N
XLogP15.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.07
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
CID 146536817
CID 146536817
4-(9,9-dimethylfluoren-2-yl)-6-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1'-yl)phenyl]-2-phenylpyrimidine
CID 146495353
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine
CID 174328025
N-[4-[4-[6-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 68546573
2-dibenzofuran-1-yl-4-phenyl-6-(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-1-yl)-1,3,5-triazine
CID 174284587
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 126544505
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607

Frequently Asked Questions

What is the IUPAC name of CID 145229229?
The IUPAC name of CID 145229229 (CID 145229229) is not available.
What is the SMILES notation for CID 145229229?
The canonical SMILES for CID 145229229 is CC1(C)C2=C(CCC=C2)c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4C54C5=C(C=CCC5)c5ccccc54)n3)cc21.
What is the InChIKey of CID 145229229?
The InChIKey is ZRMAJUJOYLMEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-61(2)48-27-11-6-21-41(48)46-36-35-40(37-56(46)61)58-38-57(39-19-4-3-5-20-39)64-60(65-58)47-26-18-34-55-59(47)63(51-30-14-9-24-44(51)45-25-10-15-31-52(45)63)54-33-17-16-32-53(54)62(55)49-28-12-7-22-42(49)43-23-8-13-29-50(43)62/h3-5,7-12,14-20,22-28,30-38H,6,13,21,29H2,1-2H3.
What are the key properties of CID 145229229?
CID 145229229 has a molecular weight of 831.07 g/mol, XLogP of 15.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145229229 is sourced from PubChem (CID 145229229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).