3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole

C66H45N5 — CID 170925439

IUPAC3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c1ccc(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C66H45N5/c1-66(2)55-36-35-49(46-33-38-60-54(40-46)51-28-16-18-30-58(51)71(60)48-25-13-6-14-26-48)62(65-68-63(42-19-7-3-8-20-42)67-64(69-65)43-21-9-4-10-22-43)61(55)52-34-31-45(41-56(52)66)44-32-37-59-53(39-44)50-27-15-17-29-57(50)70(59)47-23-11-5-12-24-47/h3-41H,1-2H3
InChIKeyXWXWKMGOVHPLAW-UHFFFAOYSA-N
MW908.12 g/mol
LogP16.71
Rot. Bonds7

About 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole (PubChem CID 170925439) has the molecular formula C66H45N5 and a molecular weight of 908.12 g/mol. Its IUPAC name is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole
PubChem CID170925439
Molecular FormulaC66H45N5
Molecular Weight908.12 g/mol
Exact Mass907.37
IUPAC Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c1ccc(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C66H45N5/c1-66(2)55-36-35-49(46-33-38-60-54(40-46)51-28-16-18-30-58(51)71(60)48-25-13-6-14-26-48)62(65-68-63(42-19-7-3-8-20-42)67-64(69-65)43-21-9-4-10-22-43)61(55)52-34-31-45(41-56(52)66)44-32-37-59-53(39-44)50-27-15-17-29-57(50)70(59)47-23-11-5-12-24-47/h3-41H,1-2H3
InChIKeyXWXWKMGOVHPLAW-UHFFFAOYSA-N
XLogP16.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.12
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole
CID 168832454
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
3-[21-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-6-heptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21,24,26,28-tetradecaenyl]-9-phenylcarbazole
CID 138727050
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 157299718
3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 67678505
3-[9,9-dimethyl-5-[3-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]-9-phenylcarbazole
CID 134595026
3-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794369
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole (CID 170925439) is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c1ccc(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole?
The InChIKey is XWXWKMGOVHPLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N5/c1-66(2)55-36-35-49(46-33-38-60-54(40-46)51-28-16-18-30-58(51)71(60)48-25-13-6-14-26-48)62(65-68-63(42-19-7-3-8-20-42)67-64(69-65)43-21-9-4-10-22-43)61(55)52-34-31-45(41-56(52)66)44-32-37-59-53(39-44)50-27-15-17-29-57(50)70(59)47-23-11-5-12-24-47/h3-41H,1-2H3.
What are the key properties of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole?
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole has a molecular weight of 908.12 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 170925439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).