9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole

C47H33N3 — CID 165152124

IUPAC9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc3ccccc3c21
InChIInChI=1S/C47H33N3/c1-47(2)39-24-11-8-23-37(39)44-38(28-31-17-6-7-20-34(31)45(44)47)41-29-40(48-46(49-41)30-15-4-3-5-16-30)32-18-14-19-33(27-32)50-42-25-12-9-21-35(42)36-22-10-13-26-43(36)50/h3-29H,1-2H3
InChIKeyYRSONTGTKUQWGA-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.03
Rot. Bonds4

About 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole

9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole (PubChem CID 165152124) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
PubChem CID165152124
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc3ccccc3c21
InChIInChI=1S/C47H33N3/c1-47(2)39-24-11-8-23-37(39)44-38(28-31-17-6-7-20-34(31)45(44)47)41-29-40(48-46(49-41)30-15-4-3-5-16-30)32-18-14-19-33(27-32)50-42-25-12-9-21-35(42)36-22-10-13-26-43(36)50/h3-29H,1-2H3
InChIKeyYRSONTGTKUQWGA-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

9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 135298296
9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 165152012
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152267
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
9-[3-[2,6-bis[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126630761
22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510068
9-[3-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 176793872
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 165152315
3-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794896
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
CID 165151962

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole (CID 165152124) is 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2c(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc3ccccc3c21.
What is the InChIKey of 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The InChIKey is YRSONTGTKUQWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-47(2)39-24-11-8-23-37(39)44-38(28-31-17-6-7-20-34(31)45(44)47)41-29-40(48-46(49-41)30-15-4-3-5-16-30)32-18-14-19-33(27-32)50-42-25-12-9-21-35(42)36-22-10-13-26-43(36)50/h3-29H,1-2H3.
What are the key properties of 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole?
9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]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 9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 165152124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).