CID 159077369

C59H47N — CID 159077369

IUPAC—
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C59H47N/c1-3-13-41(14-4-1)43-23-27-47(28-24-43)60(48-29-25-44(26-30-48)42-15-5-2-6-16-42)49-31-32-56-57(38-49)59(52-19-9-7-17-50(52)51-18-8-10-20-53(51)59)55-22-12-11-21-54(55)58(56)45-34-39-33-40(36-45)37-46(58)35-39/h1-32,38-40,45-46H,33-37H2
InChIKeyMQHGCSGBZXONNS-UHFFFAOYSA-N
MW770.03 g/mol
LogP14.91
Rot. Bonds5

About CID 159077369

CID 159077369 (PubChem CID 159077369) has the molecular formula C59H47N and a molecular weight of 770.03 g/mol.

Molecular Properties

Compound NameCID 159077369
PubChem CID159077369
Molecular FormulaC59H47N
Molecular Weight770.03 g/mol
Exact Mass769.37
IUPAC Name—
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C59H47N/c1-3-13-41(14-4-1)43-23-27-47(28-24-43)60(48-29-25-44(26-30-48)42-15-5-2-6-16-42)49-31-32-56-57(38-49)59(52-19-9-7-17-50(52)51-18-8-10-20-53(51)59)55-22-12-11-21-54(55)58(56)45-34-39-33-40(36-45)37-46(58)35-39/h1-32,38-40,45-46H,33-37H2
InChIKeyMQHGCSGBZXONNS-UHFFFAOYSA-N
XLogP14.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.03
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 159077369 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

CID 159039073
CID 159039073
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399626
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
CID 156573524
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722805
6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168734200
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832

Frequently Asked Questions

What is the IUPAC name of CID 159077369?
The IUPAC name of CID 159077369 (CID 159077369) is not available.
What is the SMILES notation for CID 159077369?
The canonical SMILES for CID 159077369 is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of CID 159077369?
The InChIKey is MQHGCSGBZXONNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N/c1-3-13-41(14-4-1)43-23-27-47(28-24-43)60(48-29-25-44(26-30-48)42-15-5-2-6-16-42)49-31-32-56-57(38-49)59(52-19-9-7-17-50(52)51-18-8-10-20-53(51)59)55-22-12-11-21-54(55)58(56)45-34-39-33-40(36-45)37-46(58)35-39/h1-32,38-40,45-46H,33-37H2.
What are the key properties of CID 159077369?
CID 159077369 has a molecular weight of 770.03 g/mol, XLogP of 14.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159077369 is sourced from PubChem (CID 159077369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).