1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole

C56H36N2 — CID 118315810

IUPAC1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6ccc7c(-c8ccccc8)c(-c8ccccc8)n(-c8ccccc8)c7c65)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C56H36N2/c1-5-17-37(18-6-1)40-29-31-45-46-32-30-42(36-51(46)44-26-14-13-25-43(44)50(45)35-40)57-52-28-16-15-27-47(52)48-33-34-49-53(38-19-7-2-8-20-38)54(39-21-9-3-10-22-39)58(56(49)55(48)57)41-23-11-4-12-24-41/h1-36H
InChIKeyHXBHKRCOKYRYED-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.19
Rot. Bonds5

About 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole

1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole (PubChem CID 118315810) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole
PubChem CID118315810
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6ccc7c(-c8ccccc8)c(-c8ccccc8)n(-c8ccccc8)c7c65)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C56H36N2/c1-5-17-37(18-6-1)40-29-31-45-46-32-30-42(36-51(46)44-26-14-13-25-43(44)50(45)35-40)57-52-28-16-15-27-47(52)48-33-34-49-53(38-19-7-2-8-20-38)54(39-21-9-3-10-22-39)58(56(49)55(48)57)41-23-11-4-12-24-41/h1-36H
InChIKeyHXBHKRCOKYRYED-UHFFFAOYSA-N
XLogP15.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole
CID 155097260
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline
CID 118315838
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
CID 162026285

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole?
The IUPAC name of 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole (CID 118315810) is 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole is c1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6ccc7c(-c8ccccc8)c(-c8ccccc8)n(-c8ccccc8)c7c65)cc4c4ccccc4c3c2)cc1.
What is the InChIKey of 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole?
The InChIKey is HXBHKRCOKYRYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-5-17-37(18-6-1)40-29-31-45-46-32-30-42(36-51(46)44-26-14-13-25-43(44)50(45)35-40)57-52-28-16-15-27-47(52)48-33-34-49-53(38-19-7-2-8-20-38)54(39-21-9-3-10-22-39)58(56(49)55(48)57)41-23-11-4-12-24-41/h1-36H.
What are the key properties of 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole?
1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole has a molecular weight of 736.92 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118315810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).