7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine

C56H39N — CID 177115944

IUPAC7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c9ccncc9c9ccccc9c8c7)c6)c5)c4)c3)ccc21
InChIInChI=1S/C56H39N/c1-56(2)54-22-6-5-21-50(54)52-34-45(24-26-55(52)56)43-18-10-16-41(32-43)39-14-8-12-37(30-39)36-11-7-13-38(29-36)40-15-9-17-42(31-40)44-23-25-48-49-27-28-57-35-53(49)47-20-4-3-19-46(47)51(48)33-44/h3-35H,1-2H3
InChIKeyRAZSJVKNNTZDBU-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.18
Rot. Bonds5

About 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine

7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine (PubChem CID 177115944) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
PubChem CID177115944
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC Name7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c9ccncc9c9ccccc9c8c7)c6)c5)c4)c3)ccc21
InChIInChI=1S/C56H39N/c1-56(2)54-22-6-5-21-50(54)52-34-45(24-26-55(52)56)43-18-10-16-41(32-43)39-14-8-12-37(30-39)36-11-7-13-38(29-36)40-15-9-17-42(31-40)44-23-25-48-49-27-28-57-35-53(49)47-20-4-3-19-46(47)51(48)33-44/h3-35H,1-2H3
InChIKeyRAZSJVKNNTZDBU-UHFFFAOYSA-N
XLogP15.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine 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

10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one
CID 88888409
2-[4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138600050
4-[3-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138599973
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523
6,12-bis(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylchrysene
CID 58511674
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
CID 59195756
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 59195515
4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632880

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine?
The IUPAC name of 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine (CID 177115944) is 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine.
What is the SMILES notation for 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine?
The canonical SMILES for 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c9ccncc9c9ccccc9c8c7)c6)c5)c4)c3)ccc21.
What is the InChIKey of 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine?
The InChIKey is RAZSJVKNNTZDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-56(2)54-22-6-5-21-50(54)52-34-45(24-26-55(52)56)43-18-10-16-41(32-43)39-14-8-12-37(30-39)36-11-7-13-38(29-36)40-15-9-17-42(31-40)44-23-25-48-49-27-28-57-35-53(49)47-20-4-3-19-46(47)51(48)33-44/h3-35H,1-2H3.
What are the key properties of 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine?
7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine has a molecular weight of 725.94 g/mol, XLogP of 15.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine is sourced from PubChem (CID 177115944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).