9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole

C58H40N6 — CID 155283440

IUPAC9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole
SMILESC=Cc1c(/C=C\C)n(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C58H40N6/c1-3-21-48-41(4-2)42-26-11-20-35-53(42)64(48)55-47(58-60-56(38-22-7-5-8-23-38)59-57(61-58)39-24-9-6-10-25-39)36-40(62-49-31-16-12-27-43(49)44-28-13-17-32-50(44)62)37-54(55)63-51-33-18-14-29-45(51)46-30-15-19-34-52(46)63/h3-37H,2H2,1H3/b21-3-
InChIKeyDHJGZYLWQPYKGV-OSSHXBFKSA-N
MW821.00 g/mol
LogP14.69
Rot. Bonds8

About 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole

9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole (PubChem CID 155283440) has the molecular formula C58H40N6 and a molecular weight of 821.00 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole
PubChem CID155283440
Molecular FormulaC58H40N6
Molecular Weight821.00 g/mol
Exact Mass820.33
IUPAC Name9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole
SMILESC=Cc1c(/C=C\C)n(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C58H40N6/c1-3-21-48-41(4-2)42-26-11-20-35-53(42)64(48)55-47(58-60-56(38-22-7-5-8-23-38)59-57(61-58)39-24-9-6-10-25-39)36-40(62-49-31-16-12-27-43(49)44-28-13-17-32-50(44)62)37-54(55)63-51-33-18-14-29-45(51)46-30-15-19-34-52(46)63/h3-37H,2H2,1H3/b21-3-
InChIKeyDHJGZYLWQPYKGV-OSSHXBFKSA-N
XLogP14.69
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.00
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[2,4-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401483
3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 167157398
[4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 174013966
10-[2-carbazol-9-yl-4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9,9-dimethylacridine
CID 155205559
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-9-phenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-b]carbazole
CID 138534156
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole
CID 144884334
2,4,5-tri(carbazol-9-yl)-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 131993006
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 135160706
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole (CID 155283440) is 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole is C=Cc1c(/C=C\C)n(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3ccccc32)c2ccccc12.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole?
The InChIKey is DHJGZYLWQPYKGV-OSSHXBFKSA-N. The full InChI is InChI=1S/C58H40N6/c1-3-21-48-41(4-2)42-26-11-20-35-53(42)64(48)55-47(58-60-56(38-22-7-5-8-23-38)59-57(61-58)39-24-9-6-10-25-39)36-40(62-49-31-16-12-27-43(49)44-28-13-17-32-50(44)62)37-54(55)63-51-33-18-14-29-45(51)46-30-15-19-34-52(46)63/h3-37H,2H2,1H3/b21-3-.
What are the key properties of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole has a molecular weight of 821.00 g/mol, XLogP of 14.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole is sourced from PubChem (CID 155283440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).