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

C53H37N3 — CID 176794510

IUPAC4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc21
InChIInChI=1S/C53H37N3/c1-53(2)44-27-14-25-40(50(44)43-31-35-18-9-10-19-36(35)32-45(43)53)37-20-13-21-38(30-37)46-33-47(55-52(54-46)34-16-5-3-6-17-34)41-26-15-29-49-51(41)42-24-11-12-28-48(42)56(49)39-22-7-4-8-23-39/h3-33H,1-2H3
InChIKeyJFQXZMMOBGSWTN-UHFFFAOYSA-N
MW715.90 g/mol
LogP13.70
Rot. Bonds5

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

4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole (PubChem CID 176794510) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is 4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
PubChem CID176794510
Molecular FormulaC53H37N3
Molecular Weight715.90 g/mol
Exact Mass715.30
IUPAC Name4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc21
InChIInChI=1S/C53H37N3/c1-53(2)44-27-14-25-40(50(44)43-31-35-18-9-10-19-36(35)32-45(43)53)37-20-13-21-38(30-37)46-33-47(55-52(54-46)34-16-5-3-6-17-34)41-26-15-29-49-51(41)42-24-11-12-28-48(42)56(49)39-22-7-4-8-23-39/h3-33H,1-2H3
InChIKeyJFQXZMMOBGSWTN-UHFFFAOYSA-N
XLogP13.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176793379
4-[3-[6-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-2-yl]phenyl]-9-phenylcarbazole
CID 176793198
4-[4-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794441
3-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794896
3-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794369
3-[3-[6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794692
2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176793551
3-[2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794552
2-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794115
9-[3-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 176793872
9-[4-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 176793487
4-[4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176795306

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole?
The IUPAC name of 4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole (CID 176794510) is 4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole is CC1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc21.
What is the InChIKey of 4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole?
The InChIKey is JFQXZMMOBGSWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-53(2)44-27-14-25-40(50(44)43-31-35-18-9-10-19-36(35)32-45(43)53)37-20-13-21-38(30-37)46-33-47(55-52(54-46)34-16-5-3-6-17-34)41-26-15-29-49-51(41)42-24-11-12-28-48(42)56(49)39-22-7-4-8-23-39/h3-33H,1-2H3.
What are the key properties of 4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole?
4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole has a molecular weight of 715.90 g/mol, XLogP of 13.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 176794510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).