CID 118153657

C68H45N — CID 118153657

IUPAC—
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C68H45N/c1-3-19-46(20-4-1)48-37-41-51(42-38-48)69(52-43-39-49(40-44-52)47-21-5-2-6-22-47)53-24-17-23-50(45-53)54-28-18-36-65-66(54)57-27-9-12-31-60(57)68(65)63-34-15-13-32-61(63)67(62-33-14-16-35-64(62)68)58-29-10-7-25-55(58)56-26-8-11-30-59(56)67/h1-45H
InChIKeyGCBCRFYOJCQEHN-UHFFFAOYSA-N
MW876.12 g/mol
LogP17.20
Rot. Bonds6

About CID 118153657

CID 118153657 (PubChem CID 118153657) has the molecular formula C68H45N and a molecular weight of 876.12 g/mol.

Molecular Properties

Compound NameCID 118153657
PubChem CID118153657
Molecular FormulaC68H45N
Molecular Weight876.12 g/mol
Exact Mass875.36
IUPAC Name—
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C68H45N/c1-3-19-46(20-4-1)48-37-41-51(42-38-48)69(52-43-39-49(40-44-52)47-21-5-2-6-22-47)53-24-17-23-50(45-53)54-28-18-36-65-66(54)57-27-9-12-31-60(57)68(65)63-34-15-13-32-61(63)67(62-33-14-16-35-64(62)68)58-29-10-7-25-55(58)56-26-8-11-30-59(56)67/h1-45H
InChIKeyGCBCRFYOJCQEHN-UHFFFAOYSA-N
XLogP17.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.12
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 118153657 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

N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
CID 129259026
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477053
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477772
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476242
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 157243923
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476259

Frequently Asked Questions

What is the IUPAC name of CID 118153657?
The IUPAC name of CID 118153657 (CID 118153657) is not available.
What is the SMILES notation for CID 118153657?
The canonical SMILES for CID 118153657 is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3)cc2)cc1.
What is the InChIKey of CID 118153657?
The InChIKey is GCBCRFYOJCQEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N/c1-3-19-46(20-4-1)48-37-41-51(42-38-48)69(52-43-39-49(40-44-52)47-21-5-2-6-22-47)53-24-17-23-50(45-53)54-28-18-36-65-66(54)57-27-9-12-31-60(57)68(65)63-34-15-13-32-61(63)67(62-33-14-16-35-64(62)68)58-29-10-7-25-55(58)56-26-8-11-30-59(56)67/h1-45H.
What are the key properties of CID 118153657?
CID 118153657 has a molecular weight of 876.12 g/mol, XLogP of 17.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118153657 is sourced from PubChem (CID 118153657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).