CID 146184417

C56H38N2O — CID 146184417

IUPAC—
SMILESC/C=C\c1ccc2ccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3)nc2c1N
InChIInChI=1S/C56H38N2O/c1-2-14-35-27-28-36-29-31-50(58-54(36)53(35)57)39-16-13-15-37(33-39)38-30-32-52-49(34-38)56(48-25-11-12-26-51(48)59-52)46-23-9-7-21-44(46)55(45-22-8-10-24-47(45)56)42-19-5-3-17-40(42)41-18-4-6-20-43(41)55/h2-34H,57H2,1H3/b14-2-
InChIKeyXKRQPVHAMSXXQE-VVHNFQOZSA-N
MW754.93 g/mol
LogP13.35
Rot. Bonds3

About CID 146184417

CID 146184417 (PubChem CID 146184417) has the molecular formula C56H38N2O and a molecular weight of 754.93 g/mol.

Molecular Properties

Compound NameCID 146184417
PubChem CID146184417
Molecular FormulaC56H38N2O
Molecular Weight754.93 g/mol
Exact Mass754.30
IUPAC Name—
SMILESC/C=C\c1ccc2ccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3)nc2c1N
InChIInChI=1S/C56H38N2O/c1-2-14-35-27-28-36-29-31-50(58-54(36)53(35)57)39-16-13-15-37(33-39)38-30-32-52-49(34-38)56(48-25-11-12-26-51(48)59-52)46-23-9-7-21-44(46)55(45-22-8-10-24-47(45)56)42-19-5-3-17-40(42)41-18-4-6-20-43(41)55/h2-34H,57H2,1H3/b14-2-
InChIKeyXKRQPVHAMSXXQE-VVHNFQOZSA-N
XLogP13.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 513.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze CID 146184417 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

7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine
CID 145353443
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]-1,3,5-triazine
CID 146343033
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671

Frequently Asked Questions

What is the IUPAC name of CID 146184417?
The IUPAC name of CID 146184417 (CID 146184417) is not available.
What is the SMILES notation for CID 146184417?
The canonical SMILES for CID 146184417 is C/C=C\c1ccc2ccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3)nc2c1N.
What is the InChIKey of CID 146184417?
The InChIKey is XKRQPVHAMSXXQE-VVHNFQOZSA-N. The full InChI is InChI=1S/C56H38N2O/c1-2-14-35-27-28-36-29-31-50(58-54(36)53(35)57)39-16-13-15-37(33-39)38-30-32-52-49(34-38)56(48-25-11-12-26-51(48)59-52)46-23-9-7-21-44(46)55(45-22-8-10-24-47(45)56)42-19-5-3-17-40(42)41-18-4-6-20-43(41)55/h2-34H,57H2,1H3/b14-2-.
What are the key properties of CID 146184417?
CID 146184417 has a molecular weight of 754.93 g/mol, XLogP of 13.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184417 is sourced from PubChem (CID 146184417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).