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

C61H42N2 — CID 168777849

IUPAC4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(-c5cc(-c6cccc(-c7ccccc7)c6)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)c21
InChIInChI=1S/C61H42N2/c1-61(2)56-37-43-22-10-9-21-42(43)36-55(56)54-30-16-29-53(59(54)61)51-32-31-49(45-25-11-12-26-46(45)51)50-33-34-52(48-28-14-13-27-47(48)50)58-38-57(62-60(63-58)40-19-7-4-8-20-40)44-24-15-23-41(35-44)39-17-5-3-6-18-39/h3-38H,1-2H3
InChIKeyICPAPHGOYINBJD-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.24
Rot. Bonds6

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

4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 168777849) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID168777849
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(-c5cc(-c6cccc(-c7ccccc7)c6)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)c21
InChIInChI=1S/C61H42N2/c1-61(2)56-37-43-22-10-9-21-42(43)36-55(56)54-30-16-29-53(59(54)61)51-32-31-49(45-25-11-12-26-46(45)51)50-33-34-52(48-28-14-13-27-47(48)50)58-38-57(62-60(63-58)40-19-7-4-8-20-40)44-24-15-23-41(35-44)39-17-5-3-6-18-39/h3-38H,1-2H3
InChIKeyICPAPHGOYINBJD-UHFFFAOYSA-N
XLogP16.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 168778157
4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 168777644
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168778651
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168777017
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168779898
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778444
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778095
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778076
4-dibenzofuran-2-yl-6-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779190
4-[4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176795306
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779099
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777321

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (CID 168777849) is 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(-c5cc(-c6cccc(-c7ccccc7)c6)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)c21.
What is the InChIKey of 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is ICPAPHGOYINBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-61(2)56-37-43-22-10-9-21-42(43)36-55(56)54-30-16-29-53(59(54)61)51-32-31-49(45-25-11-12-26-46(45)51)50-33-34-52(48-28-14-13-27-47(48)50)58-38-57(62-60(63-58)40-19-7-4-8-20-40)44-24-15-23-41(35-44)39-17-5-3-6-18-39/h3-38H,1-2H3.
What are the key properties of 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 803.02 g/mol, XLogP of 16.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 168777849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).