4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine

C50H35N3 — CID 176794287

IUPAC4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc(-c5ccc(-c6cccnc6)cc5)c5ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C50H35N3/c1-50(2)44-20-10-19-42(48(44)43-28-35-14-6-7-15-36(35)29-45(43)50)47-30-46(52-49(53-47)34-12-4-3-5-13-34)41-26-25-38(39-17-8-9-18-40(39)41)33-23-21-32(22-24-33)37-16-11-27-51-31-37/h3-31H,1-2H3
InChIKeyJVIPWGZMLIQLNT-UHFFFAOYSA-N
MW677.85 g/mol
LogP12.82
Rot. Bonds5

About 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine (PubChem CID 176794287) has the molecular formula C50H35N3 and a molecular weight of 677.85 g/mol. Its IUPAC name is 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
PubChem CID176794287
Molecular FormulaC50H35N3
Molecular Weight677.85 g/mol
Exact Mass677.28
IUPAC Name4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc(-c5ccc(-c6cccnc6)cc5)c5ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C50H35N3/c1-50(2)44-20-10-19-42(48(44)43-28-35-14-6-7-15-36(35)29-45(43)50)47-30-46(52-49(53-47)34-12-4-3-5-13-34)41-26-25-38(39-17-8-9-18-40(39)41)33-23-21-32(22-24-33)37-16-11-27-51-31-37/h3-31H,1-2H3
InChIKeyJVIPWGZMLIQLNT-UHFFFAOYSA-N
XLogP12.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(3-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
CID 176793383
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168778780
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168776985
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenylpyrimidine
CID 176795302
4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 176794049
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777321
4-[4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176795306
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[4-(3,4-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 176794885
9-[4-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 176793487
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]pyrimidine
CID 176793365
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-4-ylpyrimidine
CID 176795380
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168779314

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine?
The IUPAC name of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine (CID 176794287) is 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine.
What is the SMILES notation for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine?
The canonical SMILES for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine is CC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc(-c5ccc(-c6cccnc6)cc5)c5ccccc45)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine?
The InChIKey is JVIPWGZMLIQLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3/c1-50(2)44-20-10-19-42(48(44)43-28-35-14-6-7-15-36(35)29-45(43)50)47-30-46(52-49(53-47)34-12-4-3-5-13-34)41-26-25-38(39-17-8-9-18-40(39)41)33-23-21-32(22-24-33)37-16-11-27-51-31-37/h3-31H,1-2H3.
What are the key properties of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine?
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine has a molecular weight of 677.85 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine is sourced from PubChem (CID 176794287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).