2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole

C68H48N2 — CID 155334274

IUPAC2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2ccc(-c3cccc4c(-c5c6cccc(-c7ccccc7)c6cc6c(-c7ccccc7)cccc56)c5cccc(-c6ccc7c8ccccc8n(CC)c7c6)c5cc34)cc21
InChIInChI=1S/C68H48N2/c1-3-69-63-33-13-11-23-51(63)53-37-35-45(39-65(53)69)49-27-17-31-57-61(49)42-62-50(46-36-38-54-52-24-12-14-34-64(52)70(4-2)66(54)40-46)28-18-32-58(62)68(57)67-55-29-15-25-47(43-19-7-5-8-20-43)59(55)41-60-48(26-16-30-56(60)67)44-21-9-6-10-22-44/h5-42H,3-4H2,1-2H3
InChIKeyUTNPHUYSNLBZMO-UHFFFAOYSA-N
MW893.15 g/mol
LogP18.89
Rot. Bonds7

About 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole

2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole (PubChem CID 155334274) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole.

Molecular Properties

Compound Name2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
PubChem CID155334274
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2ccc(-c3cccc4c(-c5c6cccc(-c7ccccc7)c6cc6c(-c7ccccc7)cccc56)c5cccc(-c6ccc7c8ccccc8n(CC)c7c6)c5cc34)cc21
InChIInChI=1S/C68H48N2/c1-3-69-63-33-13-11-23-51(63)53-37-35-45(39-65(53)69)49-27-17-31-57-61(49)42-62-50(46-36-38-54-52-24-12-14-34-64(52)70(4-2)66(54)40-46)28-18-32-58(62)68(57)67-55-29-15-25-47(43-19-7-5-8-20-43)59(55)41-60-48(26-16-30-56(60)67)44-21-9-6-10-22-44/h5-42H,3-4H2,1-2H3
InChIKeyUTNPHUYSNLBZMO-UHFFFAOYSA-N
XLogP18.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole 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-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
3-[10-(4,5-diphenylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333594
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333918
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
2-(23-ethyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-N,N-diphenylaniline
CID 89417755
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155333735
23-ethyl-N,N-bis(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 86677000
9-ethyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 88924321
1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-1-yl)anthracen-1-yl]-9-phenylcarbazole;2-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole;3-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 160793440
3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 163418065

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole?
The IUPAC name of 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole (CID 155334274) is 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole.
What is the SMILES notation for 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole?
The canonical SMILES for 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole is CCn1c2ccccc2c2ccc(-c3cccc4c(-c5c6cccc(-c7ccccc7)c6cc6c(-c7ccccc7)cccc56)c5cccc(-c6ccc7c8ccccc8n(CC)c7c6)c5cc34)cc21.
What is the InChIKey of 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole?
The InChIKey is UTNPHUYSNLBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-3-69-63-33-13-11-23-51(63)53-37-35-45(39-65(53)69)49-27-17-31-57-61(49)42-62-50(46-36-38-54-52-24-12-14-34-64(52)70(4-2)66(54)40-46)28-18-32-58(62)68(57)67-55-29-15-25-47(43-19-7-5-8-20-43)59(55)41-60-48(26-16-30-56(60)67)44-21-9-6-10-22-44/h5-42H,3-4H2,1-2H3.
What are the key properties of 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole?
2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole has a molecular weight of 893.15 g/mol, XLogP of 18.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole is sourced from PubChem (CID 155334274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).