9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole

C42H29N5 — CID 174320552

IUPAC9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
SMILESc1ccc(C2N=C(c3cccc4c5ccccc5n(-c5ccccc5)c34)N=C(c3cccc(-c4ccc5cccnc5c4)c3)N2)cc1
InChIInChI=1S/C42H29N5/c1-3-12-29(13-4-1)40-44-41(32-15-9-14-30(26-32)31-24-23-28-16-11-25-43-37(28)27-31)46-42(45-40)36-21-10-20-35-34-19-7-8-22-38(34)47(39(35)36)33-17-5-2-6-18-33/h1-27,40H,(H,44,45,46)
InChIKeyCBMFKDJWKIDHIT-UHFFFAOYSA-N
MW603.73 g/mol
LogP9.49
Rot. Bonds5

About 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole

9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole (PubChem CID 174320552) has the molecular formula C42H29N5 and a molecular weight of 603.73 g/mol. Its IUPAC name is 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
PubChem CID174320552
Molecular FormulaC42H29N5
Molecular Weight603.73 g/mol
Exact Mass603.24
IUPAC Name9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
SMILESc1ccc(C2N=C(c3cccc4c5ccccc5n(-c5ccccc5)c34)N=C(c3cccc(-c4ccc5cccnc5c4)c3)N2)cc1
InChIInChI=1S/C42H29N5/c1-3-12-29(13-4-1)40-44-41(32-15-9-14-30(26-32)31-24-23-28-16-11-25-43-37(28)27-31)46-42(45-40)36-21-10-20-35-34-19-7-8-22-38(34)47(39(35)36)33-17-5-2-6-18-33/h1-27,40H,(H,44,45,46)
InChIKeyCBMFKDJWKIDHIT-UHFFFAOYSA-N
XLogP9.49
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
CID 137128475
12-[3-(4-phenylphenyl)phenyl]-1-[6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 164989882
5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700065
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648799
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The IUPAC name of 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole (CID 174320552) is 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole.
What is the SMILES notation for 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The canonical SMILES for 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole is c1ccc(C2N=C(c3cccc4c5ccccc5n(-c5ccccc5)c34)N=C(c3cccc(-c4ccc5cccnc5c4)c3)N2)cc1.
What is the InChIKey of 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The InChIKey is CBMFKDJWKIDHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N5/c1-3-12-29(13-4-1)40-44-41(32-15-9-14-30(26-32)31-24-23-28-16-11-25-43-37(28)27-31)46-42(45-40)36-21-10-20-35-34-19-7-8-22-38(34)47(39(35)36)33-17-5-2-6-18-33/h1-27,40H,(H,44,45,46).
What are the key properties of 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole has a molecular weight of 603.73 g/mol, XLogP of 9.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole is sourced from PubChem (CID 174320552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).