4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine

C55H38N2 — CID 168777291

IUPAC4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2c(cccc2-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5ccccc45)n3)c3ccccc23)-c2ccc3ccccc3c21
InChIInChI=1S/C55H38N2/c1-55(2)52-41-23-9-7-18-37(41)29-30-48(52)47-27-14-26-46(53(47)55)44-31-32-45(43-25-11-10-24-42(43)44)51-34-50(39-21-12-20-38(33-39)35-15-4-3-5-16-35)56-54(57-51)49-28-13-19-36-17-6-8-22-40(36)49/h3-34H,1-2H3
InChIKeyNCRBXJXMVNCTDM-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.58
Rot. Bonds5

About 4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine

4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine (PubChem CID 168777291) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
PubChem CID168777291
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2c(cccc2-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5ccccc45)n3)c3ccccc23)-c2ccc3ccccc3c21
InChIInChI=1S/C55H38N2/c1-55(2)52-41-23-9-7-18-37(41)29-30-48(52)47-27-14-26-46(53(47)55)44-31-32-45(43-25-11-10-24-42(43)44)51-34-50(39-21-12-20-38(33-39)35-15-4-3-5-16-35)56-54(57-51)49-28-13-19-36-17-6-8-22-40(36)49/h3-34H,1-2H3
InChIKeyNCRBXJXMVNCTDM-UHFFFAOYSA-N
XLogP14.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168780089
4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168777069
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168780096
2-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777408
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidine
CID 168777891
4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168778381
4-[4-[3-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776629
2-[4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 168777133
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777849
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777667
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168779978
2-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777347

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine (CID 168777291) is 4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine is CC1(C)c2c(cccc2-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5ccccc45)n3)c3ccccc23)-c2ccc3ccccc3c21.
What is the InChIKey of 4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is NCRBXJXMVNCTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-55(2)52-41-23-9-7-18-37(41)29-30-48(52)47-27-14-26-46(53(47)55)44-31-32-45(43-25-11-10-24-42(43)44)51-34-50(39-21-12-20-38(33-39)35-15-4-3-5-16-35)56-54(57-51)49-28-13-19-36-17-6-8-22-40(36)49/h3-34H,1-2H3.
What are the key properties of 4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine?
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 726.92 g/mol, XLogP of 14.58, 5 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-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 168777291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).