9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole

C54H35N7 — CID 170111581

IUPAC9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C54H35N7/c1-6-20-36(21-7-1)44-34-41(53-57-49(37-22-8-2-9-23-37)55-50(58-53)38-24-10-3-11-25-38)35-45(48(44)61-46-32-18-16-30-42(46)43-31-17-19-33-47(43)61)54-59-51(39-26-12-4-13-27-39)56-52(60-54)40-28-14-5-15-29-40/h1-35H
InChIKeyMYLKGWCXKJCVPJ-UHFFFAOYSA-N
MW781.92 g/mol
LogP12.82
Rot. Bonds8

About 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole

9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole (PubChem CID 170111581) has the molecular formula C54H35N7 and a molecular weight of 781.92 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
PubChem CID170111581
Molecular FormulaC54H35N7
Molecular Weight781.92 g/mol
Exact Mass781.30
IUPAC Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C54H35N7/c1-6-20-36(21-7-1)44-34-41(53-57-49(37-22-8-2-9-23-37)55-50(58-53)38-24-10-3-11-25-38)35-45(48(44)61-46-32-18-16-30-42(46)43-31-17-19-33-47(43)61)54-59-51(39-26-12-4-13-27-39)56-52(60-54)40-28-14-5-15-29-40/h1-35H
InChIKeyMYLKGWCXKJCVPJ-UHFFFAOYSA-N
XLogP12.82
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.92
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146280483
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole
CID 155450728
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 177087593
11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole
CID 146280406
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280577
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
CID 146280840
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(3-phenylphenyl)carbazole
CID 167381390
3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280568
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole?
The IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole (CID 170111581) is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole.
What is the SMILES notation for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole?
The canonical SMILES for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole?
The InChIKey is MYLKGWCXKJCVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N7/c1-6-20-36(21-7-1)44-34-41(53-57-49(37-22-8-2-9-23-37)55-50(58-53)38-24-10-3-11-25-38)35-45(48(44)61-46-32-18-16-30-42(46)43-31-17-19-33-47(43)61)54-59-51(39-26-12-4-13-27-39)56-52(60-54)40-28-14-5-15-29-40/h1-35H.
What are the key properties of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole?
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole has a molecular weight of 781.92 g/mol, XLogP of 12.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole is sourced from PubChem (CID 170111581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).