4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine

C53H38N2 — CID 165152263

IUPAC4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc3ccccc3c21
InChIInChI=1S/C53H38N2/c1-53(2)47-26-12-11-25-45(47)50-46(33-41-19-9-10-24-44(41)51(50)53)37-27-29-38(30-28-37)48-34-49(42-22-13-20-39(31-42)35-15-5-3-6-16-35)55-52(54-48)43-23-14-21-40(32-43)36-17-7-4-8-18-36/h3-34H,1-2H3
InChIKeyPLBMMBDCSUYFCL-UHFFFAOYSA-N
MW702.90 g/mol
LogP13.94
Rot. Bonds6

About 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine

4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine (PubChem CID 165152263) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
PubChem CID165152263
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC Name4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc3ccccc3c21
InChIInChI=1S/C53H38N2/c1-53(2)47-26-12-11-25-45(47)50-46(33-41-19-9-10-24-44(41)51(50)53)37-27-29-38(30-28-37)48-34-49(42-22-13-20-39(31-42)35-15-5-3-6-16-35)55-52(54-48)43-23-14-21-40(32-43)36-17-7-4-8-18-36/h3-34H,1-2H3
InChIKeyPLBMMBDCSUYFCL-UHFFFAOYSA-N
XLogP13.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 165152040
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152267
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 165152315
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4,6-diphenylpyrimidine
CID 170410073
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
2-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
CID 165152303
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
CID 165151962
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-(3,5-diphenylphenyl)-6-phenylpyridine
CID 165152041
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine
CID 165152145
2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165152163
4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 167344536

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine (CID 165152263) is 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine is CC1(C)c2ccccc2-c2c(-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc3ccccc3c21.
What is the InChIKey of 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine?
The InChIKey is PLBMMBDCSUYFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-53(2)47-26-12-11-25-45(47)50-46(33-41-19-9-10-24-44(41)51(50)53)37-27-29-38(30-28-37)48-34-49(42-22-13-20-39(31-42)35-15-5-3-6-16-35)55-52(54-48)43-23-14-21-40(32-43)36-17-7-4-8-18-36/h3-34H,1-2H3.
What are the key properties of 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine?
4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine has a molecular weight of 702.90 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 165152263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).