9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine

C55H41N5 — CID 146511808

IUPAC9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c(C)c1N1c2ccccc2C(c2ccccc2)(n2c3ccccc3c3ccccc32)c2ccccc21
InChIInChI=1S/C55H41N5/c1-36-35-44(54-57-52(39-21-7-4-8-22-39)56-53(58-54)40-23-9-5-10-24-40)37(2)38(3)51(36)59-49-33-19-15-29-45(49)55(41-25-11-6-12-26-41,46-30-16-20-34-50(46)59)60-47-31-17-13-27-42(47)43-28-14-18-32-48(43)60/h4-35H,1-3H3
InChIKeyMGMFGCVWHYOVKB-UHFFFAOYSA-N
MW771.97 g/mol
LogP13.53
Rot. Bonds6

About 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine

9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine (PubChem CID 146511808) has the molecular formula C55H41N5 and a molecular weight of 771.97 g/mol. Its IUPAC name is 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine.

Molecular Properties

Compound Name9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine
PubChem CID146511808
Molecular FormulaC55H41N5
Molecular Weight771.97 g/mol
Exact Mass771.34
IUPAC Name9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c(C)c1N1c2ccccc2C(c2ccccc2)(n2c3ccccc3c3ccccc32)c2ccccc21
InChIInChI=1S/C55H41N5/c1-36-35-44(54-57-52(39-21-7-4-8-22-39)56-53(58-54)40-23-9-5-10-24-40)37(2)38(3)51(36)59-49-33-19-15-29-45(49)55(41-25-11-6-12-26-41,46-30-16-20-34-50(46)59)60-47-31-17-13-27-42(47)43-28-14-18-32-48(43)60/h4-35H,1-3H3
InChIKeyMGMFGCVWHYOVKB-UHFFFAOYSA-N
XLogP13.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.97
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine
CID 146513299
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 118518202
9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine
CID 146510998
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 160979766
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805066
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,21-triphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804869
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole
CID 130353502
10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine
CID 135131131
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine?
The IUPAC name of 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine (CID 146511808) is 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine.
What is the SMILES notation for 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine?
The canonical SMILES for 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c(C)c1N1c2ccccc2C(c2ccccc2)(n2c3ccccc3c3ccccc32)c2ccccc21.
What is the InChIKey of 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine?
The InChIKey is MGMFGCVWHYOVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N5/c1-36-35-44(54-57-52(39-21-7-4-8-22-39)56-53(58-54)40-23-9-5-10-24-40)37(2)38(3)51(36)59-49-33-19-15-29-45(49)55(41-25-11-6-12-26-41,46-30-16-20-34-50(46)59)60-47-31-17-13-27-42(47)43-28-14-18-32-48(43)60/h4-35H,1-3H3.
What are the key properties of 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine?
9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine has a molecular weight of 771.97 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine is sourced from PubChem (CID 146511808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).