CID 146495903

C57H35N3 — CID 146495903

IUPAC—
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C57H35N3/c1-2-18-37(19-3-1)53-58-54(60-55(59-53)44-26-16-20-36-17-4-5-21-39(36)44)38-33-34-51-52(35-38)57(47-29-12-8-24-42(47)43-25-9-13-30-48(43)57)50-32-15-14-31-49(50)56(51)45-27-10-6-22-40(45)41-23-7-11-28-46(41)56/h1-35H
InChIKeyIHRHULCXUFCEKK-UHFFFAOYSA-N
MW761.93 g/mol
LogP13.07
Rot. Bonds3

About CID 146495903

CID 146495903 (PubChem CID 146495903) has the molecular formula C57H35N3 and a molecular weight of 761.93 g/mol.

Molecular Properties

Compound NameCID 146495903
PubChem CID146495903
Molecular FormulaC57H35N3
Molecular Weight761.93 g/mol
Exact Mass761.28
IUPAC Name—
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C57H35N3/c1-2-18-37(19-3-1)53-58-54(60-55(59-53)44-26-16-20-36-17-4-5-21-39(36)44)38-33-34-51-52(35-38)57(47-29-12-8-24-42(47)43-25-9-13-30-48(43)57)50-32-15-14-31-49(50)56(51)45-27-10-6-22-40(45)41-23-7-11-28-46(41)56/h1-35H
InChIKeyIHRHULCXUFCEKK-UHFFFAOYSA-N
XLogP13.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.93
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
CID 166995561
CID 166995561
2-naphthalen-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146648554
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 153357769
CID 158278496
CID 158278496
CID 139521142
CID 139521142
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 166738068
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556
CID 139521138
CID 139521138
2-naphthalen-1-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146649139
2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327024
2-naphthalen-1-yl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-dipyridin-2-yl-1,3,5-triazine;2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 158877636

Frequently Asked Questions

What is the IUPAC name of CID 146495903?
The IUPAC name of CID 146495903 (CID 146495903) is not available.
What is the SMILES notation for CID 146495903?
The canonical SMILES for CID 146495903 is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of CID 146495903?
The InChIKey is IHRHULCXUFCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3/c1-2-18-37(19-3-1)53-58-54(60-55(59-53)44-26-16-20-36-17-4-5-21-39(36)44)38-33-34-51-52(35-38)57(47-29-12-8-24-42(47)43-25-9-13-30-48(43)57)50-32-15-14-31-49(50)56(51)45-27-10-6-22-40(45)41-23-7-11-28-46(41)56/h1-35H.
What are the key properties of CID 146495903?
CID 146495903 has a molecular weight of 761.93 g/mol, XLogP of 13.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146495903 is sourced from PubChem (CID 146495903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).