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

C56H39N3 — CID 168776930

IUPAC2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7cccnc7)c6)n5)c5ccccc45)cc3)c21
InChIInChI=1S/C56H39N3/c1-56(2)51-33-41-16-7-6-15-40(41)32-50(51)48-23-11-22-45(54(48)56)37-26-24-36(25-27-37)44-28-29-49(47-21-9-8-20-46(44)47)55-58-52(38-13-4-3-5-14-38)34-53(59-55)42-18-10-17-39(31-42)43-19-12-30-57-35-43/h3-35H,1-2H3
InChIKeyOHMQEEDNUHJHJI-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.49
Rot. Bonds6

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

2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 168776930) has the molecular formula C56H39N3 and a molecular weight of 753.95 g/mol. Its IUPAC name is 2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID168776930
Molecular FormulaC56H39N3
Molecular Weight753.95 g/mol
Exact Mass753.31
IUPAC Name2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7cccnc7)c6)n5)c5ccccc45)cc3)c21
InChIInChI=1S/C56H39N3/c1-56(2)51-33-41-16-7-6-15-40(41)32-50(51)48-23-11-22-45(54(48)56)37-26-24-36(25-27-37)44-28-29-49(47-21-9-8-20-46(44)47)55-58-52(38-13-4-3-5-14-38)34-53(59-55)42-18-10-17-39(31-42)43-19-12-30-57-35-43/h3-35H,1-2H3
InChIKeyOHMQEEDNUHJHJI-UHFFFAOYSA-N
XLogP14.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777160
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777321
2-[4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 168777133
2-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168779483
2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168779041
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778076
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778095
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168777017
2-[4-(11,11-diphenylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 168777997
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632378
4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 168778157

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 168776930) is 2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7cccnc7)c6)n5)c5ccccc45)cc3)c21.
What is the InChIKey of 2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is OHMQEEDNUHJHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3/c1-56(2)51-33-41-16-7-6-15-40(41)32-50(51)48-23-11-22-45(54(48)56)37-26-24-36(25-27-37)44-28-29-49(47-21-9-8-20-46(44)47)55-58-52(38-13-4-3-5-14-38)34-53(59-55)42-18-10-17-39(31-42)43-19-12-30-57-35-43/h3-35H,1-2H3.
What are the key properties of 2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 753.95 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 168776930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).