1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole

C57H43N — CID 89144322

IUPAC1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole
SMILESCC1CC=CC(c2ccc(-c3ccccc3)n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)C1
InChIInChI=1S/C57H43N/c1-38-12-11-19-46(34-38)55-33-32-54(42-15-3-2-4-16-42)58(55)49-29-26-41(27-30-49)45-28-31-52-53(37-45)57(48-25-23-40-14-6-8-18-44(40)36-48)51-21-10-9-20-50(51)56(52)47-24-22-39-13-5-7-17-43(39)35-47/h2-11,13-33,35-38,46H,12,34H2,1H3
InChIKeyMLIZDXNEJFHHFM-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.83
Rot. Bonds6

About 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole

1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole (PubChem CID 89144322) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole.

Molecular Properties

Compound Name1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole
PubChem CID89144322
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole
SMILESCC1CC=CC(c2ccc(-c3ccccc3)n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)C1
InChIInChI=1S/C57H43N/c1-38-12-11-19-46(34-38)55-33-32-54(42-15-3-2-4-16-42)58(55)49-29-26-41(27-30-49)45-28-31-52-53(37-45)57(48-25-23-40-14-6-8-18-44(40)36-48)51-21-10-9-20-50(51)56(52)47-24-22-39-13-5-7-17-43(39)35-47/h2-11,13-33,35-38,46H,12,34H2,1H3
InChIKeyMLIZDXNEJFHHFM-UHFFFAOYSA-N
XLogP15.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole 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-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
12-[4-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377445
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
2-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[10-phenyl-9-(4-phenylphenyl)anthracen-2-yl]pyrrole
CID 89144491
12-[6-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377465
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
12-[4-[10-phenyl-3-(4-phenylphenyl)anthracen-9-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377435
12-[4-(3-anthracen-2-yl-10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377478
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole?
The IUPAC name of 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole (CID 89144322) is 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole.
What is the SMILES notation for 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole?
The canonical SMILES for 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole is CC1CC=CC(c2ccc(-c3ccccc3)n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)C1.
What is the InChIKey of 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole?
The InChIKey is MLIZDXNEJFHHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-38-12-11-19-46(34-38)55-33-32-54(42-15-3-2-4-16-42)58(55)49-29-26-41(27-30-49)45-28-31-52-53(37-45)57(48-25-23-40-14-6-8-18-44(40)36-48)51-21-10-9-20-50(51)56(52)47-24-22-39-13-5-7-17-43(39)35-47/h2-11,13-33,35-38,46H,12,34H2,1H3.
What are the key properties of 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole?
1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole has a molecular weight of 741.98 g/mol, XLogP of 15.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-(5-methylcyclohex-2-en-1-yl)-5-phenylpyrrole is sourced from PubChem (CID 89144322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).