4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole

C49H35N3 — CID 162775342

IUPAC4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4c3c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H35N3/c1-49(2)41-24-14-12-22-37(41)40-28-34(26-27-42(40)49)39-29-35(30-46-47(39)38-23-13-15-25-45(38)52(46)36-20-10-5-11-21-36)48-50-43(32-16-6-3-7-17-32)31-44(51-48)33-18-8-4-9-19-33/h3-31H,1-2H3
InChIKeyVNZKTQZKGPXJCN-UHFFFAOYSA-N
MW665.84 g/mol
LogP12.55
Rot. Bonds5

About 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole

4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole (PubChem CID 162775342) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
PubChem CID162775342
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC Name4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4c3c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H35N3/c1-49(2)41-24-14-12-22-37(41)40-28-34(26-27-42(40)49)39-29-35(30-46-47(39)38-23-13-15-25-45(38)52(46)36-20-10-5-11-21-36)48-50-43(32-16-6-3-7-17-32)31-44(51-48)33-18-8-4-9-19-33/h3-31H,1-2H3
InChIKeyVNZKTQZKGPXJCN-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494
15-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459489
3-(9,9-dimethylfluoren-3-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole;ethane
CID 145327566
9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087439
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-a]carbazole
CID 145370545
3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole
CID 145327908
5-[3-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265309
16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509965
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126630697
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole?
The IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole (CID 162775342) is 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole is CC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4c3c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole?
The InChIKey is VNZKTQZKGPXJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c1-49(2)41-24-14-12-22-37(41)40-28-34(26-27-42(40)49)39-29-35(30-46-47(39)38-23-13-15-25-45(38)52(46)36-20-10-5-11-21-36)48-50-43(32-16-6-3-7-17-32)31-44(51-48)33-18-8-4-9-19-33/h3-31H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole?
4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole has a molecular weight of 665.84 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 162775342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).