9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole

C57H36N2 — CID 130377426

IUPAC9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(-c4c5ccccc5c(-n5c6ccccc6c6ccccc65)c5ccccc45)c4ccc(-c5ccncc5)cc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C57H36N2/c1-3-15-37(16-4-1)40-27-29-46-50(35-40)54(39-17-5-2-6-18-39)51-36-41(38-31-33-58-34-32-38)28-30-47(51)56(46)55-44-21-7-9-23-48(44)57(49-24-10-8-22-45(49)55)59-52-25-13-11-19-42(52)43-20-12-14-26-53(43)59/h1-36H
InChIKeyLTUBYNFCAATXIX-UHFFFAOYSA-N
MW748.93 g/mol
LogP15.46
Rot. Bonds5

About 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole

9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole (PubChem CID 130377426) has the molecular formula C57H36N2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole
PubChem CID130377426
Molecular FormulaC57H36N2
Molecular Weight748.93 g/mol
Exact Mass748.29
IUPAC Name9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(-c4c5ccccc5c(-n5c6ccccc6c6ccccc65)c5ccccc45)c4ccc(-c5ccncc5)cc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C57H36N2/c1-3-15-37(16-4-1)40-27-29-46-50(35-40)54(39-17-5-2-6-18-39)51-36-41(38-31-33-58-34-32-38)28-30-47(51)56(46)55-44-21-7-9-23-48(44)57(49-24-10-8-22-45(49)55)59-52-25-13-11-19-42(52)43-20-12-14-26-53(43)59/h1-36H
InChIKeyLTUBYNFCAATXIX-UHFFFAOYSA-N
XLogP15.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377424
9-[10-(2,3,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole;9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole;9-[10-(3,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 161273548
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole
CID 118084392
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390
3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole
CID 164797248
9-[3-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58273653
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814

Frequently Asked Questions

What is the IUPAC name of 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole?
The IUPAC name of 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole (CID 130377426) is 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole.
What is the SMILES notation for 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole?
The canonical SMILES for 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole is c1ccc(-c2ccc3c(-c4c5ccccc5c(-n5c6ccccc6c6ccccc65)c5ccccc45)c4ccc(-c5ccncc5)cc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole?
The InChIKey is LTUBYNFCAATXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2/c1-3-15-37(16-4-1)40-27-29-46-50(35-40)54(39-17-5-2-6-18-39)51-36-41(38-31-33-58-34-32-38)28-30-47(51)56(46)55-44-21-7-9-23-48(44)57(49-24-10-8-22-45(49)55)59-52-25-13-11-19-42(52)43-20-12-14-26-53(43)59/h1-36H.
What are the key properties of 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole?
9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole has a molecular weight of 748.93 g/mol, XLogP of 15.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole is sourced from PubChem (CID 130377426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).