3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole

C48H33N5 — CID 90257492

IUPAC3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(Cn2ccc3c2cc(-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c2)c2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C48H33N5/c1-5-16-33(17-6-1)32-52-29-28-40-43(52)31-41(44-39-26-13-14-27-42(39)53(45(40)44)38-24-11-4-12-25-38)36-22-15-23-37(30-36)48-50-46(34-18-7-2-8-19-34)49-47(51-48)35-20-9-3-10-21-35/h1-31H,32H2
InChIKeyBNUIMXOGASGMFV-UHFFFAOYSA-N
MW679.83 g/mol
LogP11.64
Rot. Bonds7

About 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole

3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole (PubChem CID 90257492) has the molecular formula C48H33N5 and a molecular weight of 679.83 g/mol. Its IUPAC name is 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole
PubChem CID90257492
Molecular FormulaC48H33N5
Molecular Weight679.83 g/mol
Exact Mass679.27
IUPAC Name3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(Cn2ccc3c2cc(-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c2)c2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C48H33N5/c1-5-16-33(17-6-1)32-52-29-28-40-43(52)31-41(44-39-26-13-14-27-42(39)53(45(40)44)38-24-11-4-12-25-38)36-22-15-23-37(30-36)48-50-46(34-18-7-2-8-19-34)49-47(51-48)35-20-9-3-10-21-35/h1-31H,32H2
InChIKeyBNUIMXOGASGMFV-UHFFFAOYSA-N
XLogP11.64
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.83
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
CID 164799980
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255408
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 126628134
12-(4-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-triphenylen-2-ylindolo[2,3-a]carbazole
CID 170255342
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165031430
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole
CID 90296192
5-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255377
5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255301
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162500605
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 154982787

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole (CID 90257492) is 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole is c1ccc(Cn2ccc3c2cc(-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c2)c2c4ccccc4n(-c4ccccc4)c32)cc1.
What is the InChIKey of 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole?
The InChIKey is BNUIMXOGASGMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5/c1-5-16-33(17-6-1)32-52-29-28-40-43(52)31-41(44-39-26-13-14-27-42(39)53(45(40)44)38-24-11-4-12-25-38)36-22-15-23-37(30-36)48-50-46(34-18-7-2-8-19-34)49-47(51-48)35-20-9-3-10-21-35/h1-31H,32H2.
What are the key properties of 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole?
3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole has a molecular weight of 679.83 g/mol, XLogP of 11.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90257492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).