5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine

C61H42N2 — CID 58654783

IUPAC5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine
SMILESCc1cc(-c2c3ccccc3c(N3Cc4ccccc4-c4ccccc43)c3ccccc23)cc(-c2c3ccccc3c(N3Cc4ccccc4-c4ccccc43)c3ccccc23)c1
InChIInChI=1S/C61H42N2/c1-39-34-42(58-48-24-6-10-28-52(48)60(53-29-11-7-25-49(53)58)62-37-40-18-2-4-20-44(40)46-22-14-16-32-56(46)62)36-43(35-39)59-50-26-8-12-30-54(50)61(55-31-13-9-27-51(55)59)63-38-41-19-3-5-21-45(41)47-23-15-17-33-57(47)63/h2-36H,37-38H2,1H3
InChIKeyBDAIOLCCPRKGBK-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.58
Rot. Bonds4

About 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine

5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine (PubChem CID 58654783) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine.

Molecular Properties

Compound Name5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine
PubChem CID58654783
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine
SMILESCc1cc(-c2c3ccccc3c(N3Cc4ccccc4-c4ccccc43)c3ccccc23)cc(-c2c3ccccc3c(N3Cc4ccccc4-c4ccccc43)c3ccccc23)c1
InChIInChI=1S/C61H42N2/c1-39-34-42(58-48-24-6-10-28-52(48)60(53-29-11-7-25-49(53)58)62-37-40-18-2-4-20-44(40)46-22-14-16-32-56(46)62)36-43(35-39)59-50-26-8-12-30-54(50)61(55-31-13-9-27-51(55)59)63-38-41-19-3-5-21-45(41)47-23-15-17-33-57(47)63/h2-36H,37-38H2,1H3
InChIKeyBDAIOLCCPRKGBK-UHFFFAOYSA-N
XLogP16.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine 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

9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene
CID 143811504
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
10-[3-methyl-5-[10-(4-methyl-N-(4-methylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 158552329
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
3-(3,5-dimethylphenyl)-9-(9H-fluoren-4-yl)carbazole
CID 118504532
9-[2-[2-(9H-fluoren-2-yl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 166037340
2,5-dimethyl-6H-phenanthridine
CID 58184346
9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine
CID 170245604
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220889

Frequently Asked Questions

What is the IUPAC name of 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine?
The IUPAC name of 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine (CID 58654783) is 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine.
What is the SMILES notation for 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine?
The canonical SMILES for 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine is Cc1cc(-c2c3ccccc3c(N3Cc4ccccc4-c4ccccc43)c3ccccc23)cc(-c2c3ccccc3c(N3Cc4ccccc4-c4ccccc43)c3ccccc23)c1.
What is the InChIKey of 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine?
The InChIKey is BDAIOLCCPRKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-39-34-42(58-48-24-6-10-28-52(48)60(53-29-11-7-25-49(53)58)62-37-40-18-2-4-20-44(40)46-22-14-16-32-56(46)62)36-43(35-39)59-50-26-8-12-30-54(50)61(55-31-13-9-27-51(55)59)63-38-41-19-3-5-21-45(41)47-23-15-17-33-57(47)63/h2-36H,37-38H2,1H3.
What are the key properties of 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine?
5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine has a molecular weight of 803.02 g/mol, XLogP of 16.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[3-methyl-5-[10-(6H-phenanthridin-5-yl)anthracen-9-yl]phenyl]anthracen-9-yl]-6H-phenanthridine is sourced from PubChem (CID 58654783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).