CID 166017919

C57H42N4 — CID 166017919

IUPAC—
SMILESN#Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C57H42N4/c58-34-41-14-4-5-15-44(41)37-22-24-39(25-23-37)54-59-53(38-12-2-1-3-13-38)60-55(61-54)40-26-27-51-52(33-40)57(47-18-8-6-16-45(47)46-17-7-9-19-48(46)57)50-21-11-10-20-49(50)56(51)42-29-35-28-36(31-42)32-43(56)30-35/h1-27,33,35-36,42-43H,28-32H2
InChIKeyRYDJDJXJCRUJJF-UHFFFAOYSA-N
MW782.99 g/mol
LogP12.83
Rot. Bonds4

About CID 166017919

CID 166017919 (PubChem CID 166017919) has the molecular formula C57H42N4 and a molecular weight of 782.99 g/mol.

Molecular Properties

Compound NameCID 166017919
PubChem CID166017919
Molecular FormulaC57H42N4
Molecular Weight782.99 g/mol
Exact Mass782.34
IUPAC Name—
SMILESN#Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C57H42N4/c58-34-41-14-4-5-15-44(41)37-22-24-39(25-23-37)54-59-53(38-12-2-1-3-13-38)60-55(61-54)40-26-27-51-52(33-40)57(47-18-8-6-16-45(47)46-17-7-9-19-48(46)57)50-21-11-10-20-49(50)56(51)42-29-35-28-36(31-42)32-43(56)30-35/h1-27,33,35-36,42-43H,28-32H2
InChIKeyRYDJDJXJCRUJJF-UHFFFAOYSA-N
XLogP12.83
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 166017919 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-[4-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166017826
2-[4-[7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]benzonitrile
CID 168798558
2-[8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
CID 168798451
2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166017889
7'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-carbonitrile
CID 168798400
2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-2'-yl-1,3,5-triazine
CID 156561346
2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine
CID 166018192
2-[3-[3-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166018181
2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663
2-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166017953
7'-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-carbonitrile
CID 168798677
2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819010

Frequently Asked Questions

What is the IUPAC name of CID 166017919?
The IUPAC name of CID 166017919 (CID 166017919) is not available.
What is the SMILES notation for CID 166017919?
The canonical SMILES for CID 166017919 is N#Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)n2)cc1.
What is the InChIKey of CID 166017919?
The InChIKey is RYDJDJXJCRUJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4/c58-34-41-14-4-5-15-44(41)37-22-24-39(25-23-37)54-59-53(38-12-2-1-3-13-38)60-55(61-54)40-26-27-51-52(33-40)57(47-18-8-6-16-45(47)46-17-7-9-19-48(46)57)50-21-11-10-20-49(50)56(51)42-29-35-28-36(31-42)32-43(56)30-35/h1-27,33,35-36,42-43H,28-32H2.
What are the key properties of CID 166017919?
CID 166017919 has a molecular weight of 782.99 g/mol, XLogP of 12.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166017919 is sourced from PubChem (CID 166017919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).