2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine

C43H30N2 — CID 176632722

IUPAC2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine
SMILESC1=Cc2c(cccc2-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3ccccc3)n2)C(c2ccccc2)=CC1
InChIInChI=1S/C43H30N2/c1-4-15-30(16-5-1)33-21-10-11-23-37-36(33)25-14-26-39(37)41-29-42(45-43(44-41)32-19-8-3-9-20-32)40-28-27-34(31-17-6-2-7-18-31)35-22-12-13-24-38(35)40/h1-9,11-29H,10H2
InChIKeyRFITUSDFJXXKMJ-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.15
Rot. Bonds5

About 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine

2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 176632722) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine
PubChem CID176632722
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine
SMILESC1=Cc2c(cccc2-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3ccccc3)n2)C(c2ccccc2)=CC1
InChIInChI=1S/C43H30N2/c1-4-15-30(16-5-1)33-21-10-11-23-37-36(33)25-14-26-39(37)41-29-42(45-43(44-41)32-19-8-3-9-20-32)40-28-27-34(31-17-6-2-7-18-31)35-22-12-13-24-38(35)40/h1-9,11-29H,10H2
InChIKeyRFITUSDFJXXKMJ-UHFFFAOYSA-N
XLogP11.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)pyrimidine
CID 176632573
2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(6-pyren-1-ylnaphthalen-2-yl)pyrimidine
CID 176632419
4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 170188925
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632187
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine
CID 176632630
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076674
2-phenyl-4-(5-phenylnaphthalen-1-yl)-6-(6-pyren-1-ylnaphthalen-2-yl)pyrimidine
CID 170188933
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine (CID 176632722) is 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine is C1=Cc2c(cccc2-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3ccccc3)n2)C(c2ccccc2)=CC1.
What is the InChIKey of 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is RFITUSDFJXXKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-4-15-30(16-5-1)33-21-10-11-23-37-36(33)25-14-26-39(37)41-29-42(45-43(44-41)32-19-8-3-9-20-32)40-28-27-34(31-17-6-2-7-18-31)35-22-12-13-24-38(35)40/h1-9,11-29H,10H2.
What are the key properties of 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine?
2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine has a molecular weight of 574.73 g/mol, XLogP of 11.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(5-phenyl-7H-benzo[7]annulen-1-yl)-6-(4-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176632722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).