CID 118153763

C86H58N2 — CID 118153763

IUPAC—
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4C4(c5ccccc5-c5c(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C86H58N2/c1-5-23-59(24-6-1)63-43-51-67(52-44-63)87(68-53-45-64(46-54-68)60-25-7-2-8-26-60)81-41-21-39-79-83(81)71-31-13-15-33-73(71)85(79)75-35-17-19-37-77(75)86(78-38-20-18-36-76(78)85)74-34-16-14-32-72(74)84-80(86)40-22-42-82(84)88(69-55-47-65(48-56-69)61-27-9-3-10-28-61)70-57-49-66(50-58-70)62-29-11-4-12-30-62/h1-58H
InChIKeyBQHSCVPNANWIMY-UHFFFAOYSA-N
MW1119.42 g/mol
LogP22.33
Rot. Bonds10

About CID 118153763

CID 118153763 (PubChem CID 118153763) has the molecular formula C86H58N2 and a molecular weight of 1119.42 g/mol.

Molecular Properties

Compound NameCID 118153763
PubChem CID118153763
Molecular FormulaC86H58N2
Molecular Weight1119.42 g/mol
Exact Mass1118.46
IUPAC Name—
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4C4(c5ccccc5-c5c(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C86H58N2/c1-5-23-59(24-6-1)63-43-51-67(52-44-63)87(68-53-45-64(46-54-68)60-25-7-2-8-26-60)81-41-21-39-79-83(81)71-31-13-15-33-73(71)85(79)75-35-17-19-37-77(75)86(78-38-20-18-36-76(78)85)74-34-16-14-32-72(74)84-80(86)40-22-42-82(84)88(69-55-47-65(48-56-69)61-27-9-3-10-28-61)70-57-49-66(50-58-70)62-29-11-4-12-30-62/h1-58H
InChIKeyBQHSCVPNANWIMY-UHFFFAOYSA-N
XLogP22.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.42
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
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
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
CID 118153721
CID 118153721
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361

Frequently Asked Questions

What is the IUPAC name of CID 118153763?
The IUPAC name of CID 118153763 (CID 118153763) is not available.
What is the SMILES notation for CID 118153763?
The canonical SMILES for CID 118153763 is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4C4(c5ccccc5-c5c(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cccc54)c4ccccc43)cc2)cc1.
What is the InChIKey of CID 118153763?
The InChIKey is BQHSCVPNANWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H58N2/c1-5-23-59(24-6-1)63-43-51-67(52-44-63)87(68-53-45-64(46-54-68)60-25-7-2-8-26-60)81-41-21-39-79-83(81)71-31-13-15-33-73(71)85(79)75-35-17-19-37-77(75)86(78-38-20-18-36-76(78)85)74-34-16-14-32-72(74)84-80(86)40-22-42-82(84)88(69-55-47-65(48-56-69)61-27-9-3-10-28-61)70-57-49-66(50-58-70)62-29-11-4-12-30-62/h1-58H.
What are the key properties of CID 118153763?
CID 118153763 has a molecular weight of 1119.42 g/mol, XLogP of 22.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118153763 is sourced from PubChem (CID 118153763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).