4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline

C48H35N5 — CID 122370240

IUPAC4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C48H35N5/c1-51(2)35-25-23-34(24-26-35)48-49-42(32-19-27-36(28-20-32)52-44-15-7-3-11-38(44)39-12-4-8-16-45(39)52)31-43(50-48)33-21-29-37(30-22-33)53-46-17-9-5-13-40(46)41-14-6-10-18-47(41)53/h3-31H,1-2H3
InChIKeyFJQPEQOVZZRQJU-UHFFFAOYSA-N
MW681.84 g/mol
LogP11.74
Rot. Bonds6

About 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline

4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline (PubChem CID 122370240) has the molecular formula C48H35N5 and a molecular weight of 681.84 g/mol. Its IUPAC name is 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline
PubChem CID122370240
Molecular FormulaC48H35N5
Molecular Weight681.84 g/mol
Exact Mass681.29
IUPAC Name4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C48H35N5/c1-51(2)35-25-23-34(24-26-35)48-49-42(32-19-27-36(28-20-32)52-44-15-7-3-11-38(44)39-12-4-8-16-45(39)52)31-43(50-48)33-21-29-37(30-22-33)53-46-17-9-5-13-40(46)41-14-6-10-18-47(41)53/h3-31H,1-2H3
InChIKeyFJQPEQOVZZRQJU-UHFFFAOYSA-N
XLogP11.74
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline
CID 147427849
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
11-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-b]carbazole
CID 121385495
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-3,6-bis(3-methylcarbazol-9-yl)carbazole
CID 126730044
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502133

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline (CID 122370240) is 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline?
The InChIKey is FJQPEQOVZZRQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N5/c1-51(2)35-25-23-34(24-26-35)48-49-42(32-19-27-36(28-20-32)52-44-15-7-3-11-38(44)39-12-4-8-16-45(39)52)31-43(50-48)33-21-29-37(30-22-33)53-46-17-9-5-13-40(46)41-14-6-10-18-47(41)53/h3-31H,1-2H3.
What are the key properties of 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline?
4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline has a molecular weight of 681.84 g/mol, XLogP of 11.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 122370240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).