2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole

C47H33N3 — CID 129290192

IUPAC2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESCC1(C)c2cc(-c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C47H33N3/c1-47(2)39-26-23-30-13-9-10-18-35(30)45(39)38-25-22-33(27-40(38)47)34-21-24-37-36-19-11-12-20-42(36)50(43(37)28-34)44-29-41(31-14-5-3-6-15-31)48-46(49-44)32-16-7-4-8-17-32/h3-29H,1-2H3
InChIKeyHAAWKWPQKGCHJK-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.03
Rot. Bonds4

About 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole

2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole (PubChem CID 129290192) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole.

Molecular Properties

Compound Name2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
PubChem CID129290192
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESCC1(C)c2cc(-c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C47H33N3/c1-47(2)39-26-23-30-13-9-10-18-35(30)45(39)38-25-22-33(27-40(38)47)34-21-24-37-36-19-11-12-20-42(36)50(43(37)28-34)44-29-41(31-14-5-3-6-15-31)48-46(49-44)32-16-7-4-8-17-32/h3-29H,1-2H3
InChIKeyHAAWKWPQKGCHJK-UHFFFAOYSA-N
XLogP12.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 90276293
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
5-(2,6-diphenylpyrimidin-4-yl)-15,15-dimethyl-25-phenyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 118242820
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871
5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485277
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770
1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142569637
9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole
CID 176793482
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 159773726
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158392620
4-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632085

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The IUPAC name of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole (CID 129290192) is 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole.
What is the SMILES notation for 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The canonical SMILES for 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole is CC1(C)c2cc(-c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The InChIKey is HAAWKWPQKGCHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-47(2)39-26-23-30-13-9-10-18-35(30)45(39)38-25-22-33(27-40(38)47)34-21-24-37-36-19-11-12-20-42(36)50(43(37)28-34)44-29-41(31-14-5-3-6-15-31)48-46(49-44)32-16-7-4-8-17-32/h3-29H,1-2H3.
What are the key properties of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole has a molecular weight of 639.80 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole is sourced from PubChem (CID 129290192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).