CID 134451054

C60H38N2 — CID 134451054

IUPAC—
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C60H38N2/c1-3-19-39(20-4-1)55-38-56(40-21-5-2-6-22-40)62-58(61-55)42-24-17-23-41(37-42)43-29-18-36-54-57(43)60(50-32-13-9-27-46(50)47-28-10-14-33-51(47)60)53-35-16-15-34-52(53)59(54)48-30-11-7-25-44(48)45-26-8-12-31-49(45)59/h1-38H
InChIKeyNCINRAOCZXIZHK-UHFFFAOYSA-N
MW786.98 g/mol
LogP14.18
Rot. Bonds4

About CID 134451054

CID 134451054 (PubChem CID 134451054) has the molecular formula C60H38N2 and a molecular weight of 786.98 g/mol.

Molecular Properties

Compound NameCID 134451054
PubChem CID134451054
Molecular FormulaC60H38N2
Molecular Weight786.98 g/mol
Exact Mass786.30
IUPAC Name—
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C60H38N2/c1-3-19-39(20-4-1)55-38-56(40-21-5-2-6-22-40)62-58(61-55)42-24-17-23-41(37-42)43-29-18-36-54-57(43)60(50-32-13-9-27-46(50)47-28-10-14-33-51(47)60)53-35-16-15-34-52(53)59(54)48-30-11-7-25-44(48)45-26-8-12-31-49(45)59/h1-38H
InChIKeyNCINRAOCZXIZHK-UHFFFAOYSA-N
XLogP14.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.98
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 134451054 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

2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153288092
4-(3,5-diphenylphenyl)-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153287775
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 121450582
2,4-bis(3-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 90059518
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
2,4-diphenyl-6-(3-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)pyrimidine
CID 155123113
4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 166995660
4-(3,5-diphenylphenyl)-2-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153287870
4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153288013
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534

Frequently Asked Questions

What is the IUPAC name of CID 134451054?
The IUPAC name of CID 134451054 (CID 134451054) is not available.
What is the SMILES notation for CID 134451054?
The canonical SMILES for CID 134451054 is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1.
What is the InChIKey of CID 134451054?
The InChIKey is NCINRAOCZXIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2/c1-3-19-39(20-4-1)55-38-56(40-21-5-2-6-22-40)62-58(61-55)42-24-17-23-41(37-42)43-29-18-36-54-57(43)60(50-32-13-9-27-46(50)47-28-10-14-33-51(47)60)53-35-16-15-34-52(53)59(54)48-30-11-7-25-44(48)45-26-8-12-31-49(45)59/h1-38H.
What are the key properties of CID 134451054?
CID 134451054 has a molecular weight of 786.98 g/mol, XLogP of 14.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134451054 is sourced from PubChem (CID 134451054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).