CID 134451141

C62H41N — CID 134451141

IUPAC—
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C62H41N/c1-3-18-42(19-4-1)43-34-36-44(37-35-43)45-38-40-47(41-39-45)63(46-20-5-2-6-21-46)59-33-17-32-58-60(59)62(54-28-13-9-24-50(54)51-25-10-14-29-55(51)62)57-31-16-15-30-56(57)61(58)52-26-11-7-22-48(52)49-23-8-12-27-53(49)61/h1-41H
InChIKeyFXWKDUIGYOGWNJ-UHFFFAOYSA-N
MW800.02 g/mol
LogP15.53
Rot. Bonds5

About CID 134451141

CID 134451141 (PubChem CID 134451141) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol.

Molecular Properties

Compound NameCID 134451141
PubChem CID134451141
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC Name—
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C62H41N/c1-3-18-42(19-4-1)43-34-36-44(37-35-43)45-38-40-47(41-39-45)63(46-20-5-2-6-21-46)59-33-17-32-58-60(59)62(54-28-13-9-24-50(54)51-25-10-14-29-55(51)62)57-31-16-15-30-56(57)61(58)52-26-11-7-22-48(52)49-23-8-12-27-53(49)61/h1-41H
InChIKeyFXWKDUIGYOGWNJ-UHFFFAOYSA-N
XLogP15.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 134451141 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 118153763
CID 118153763
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
CID 158188643
CID 158188643
N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
CID 130380030
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
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-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine
CID 167177372
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622

Frequently Asked Questions

What is the IUPAC name of CID 134451141?
The IUPAC name of CID 134451141 (CID 134451141) is not available.
What is the SMILES notation for CID 134451141?
The canonical SMILES for CID 134451141 is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of CID 134451141?
The InChIKey is FXWKDUIGYOGWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-3-18-42(19-4-1)43-34-36-44(37-35-43)45-38-40-47(41-39-45)63(46-20-5-2-6-21-46)59-33-17-32-58-60(59)62(54-28-13-9-24-50(54)51-25-10-14-29-55(51)62)57-31-16-15-30-56(57)61(58)52-26-11-7-22-48(52)49-23-8-12-27-53(49)61/h1-41H.
What are the key properties of CID 134451141?
CID 134451141 has a molecular weight of 800.02 g/mol, XLogP of 15.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134451141 is sourced from PubChem (CID 134451141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).