CID 118153721

C64H46N2 — CID 118153721

IUPAC—
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C64H46N2/c1-43-31-35-46(36-32-43)65(47-37-33-44(2)34-38-47)48-39-41-49(42-40-48)66(45-17-4-3-5-18-45)61-30-16-29-60-62(61)52-21-8-11-24-55(52)64(60)58-27-14-12-25-56(58)63(57-26-13-15-28-59(57)64)53-22-9-6-19-50(53)51-20-7-10-23-54(51)63/h3-42H,1-2H3
InChIKeyKYKOXDYHERKQEK-UHFFFAOYSA-N
MW843.09 g/mol
LogP16.28
Rot. Bonds6

About CID 118153721

CID 118153721 (PubChem CID 118153721) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol.

Molecular Properties

Compound NameCID 118153721
PubChem CID118153721
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC Name—
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C64H46N2/c1-43-31-35-46(36-32-43)65(47-37-33-44(2)34-38-47)48-39-41-49(42-40-48)66(45-17-4-3-5-18-45)61-30-16-29-60-62(61)52-21-8-11-24-55(52)64(60)58-27-14-12-25-56(58)63(57-26-13-15-28-59(57)64)53-22-9-6-19-50(53)51-20-7-10-23-54(51)63/h3-42H,1-2H3
InChIKeyKYKOXDYHERKQEK-UHFFFAOYSA-N
XLogP16.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
CID 118153763
CID 118153763
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline
CID 142480948
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 123227044

Frequently Asked Questions

What is the IUPAC name of CID 118153721?
The IUPAC name of CID 118153721 (CID 118153721) is not available.
What is the SMILES notation for CID 118153721?
The canonical SMILES for CID 118153721 is Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1.
What is the InChIKey of CID 118153721?
The InChIKey is KYKOXDYHERKQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-43-31-35-46(36-32-43)65(47-37-33-44(2)34-38-47)48-39-41-49(42-40-48)66(45-17-4-3-5-18-45)61-30-16-29-60-62(61)52-21-8-11-24-55(52)64(60)58-27-14-12-25-56(58)63(57-26-13-15-28-59(57)64)53-22-9-6-19-50(53)51-20-7-10-23-54(51)63/h3-42H,1-2H3.
What are the key properties of CID 118153721?
CID 118153721 has a molecular weight of 843.09 g/mol, XLogP of 16.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118153721 is sourced from PubChem (CID 118153721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).