2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine

C61H40N2 — CID 168777450

IUPAC2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccccc6c4-5)c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N2/c1-5-19-41(20-6-1)47-28-15-18-32-52(47)58-40-57(43-22-7-2-8-23-43)62-60(63-58)53-37-36-48(50-30-16-17-31-51(50)53)44-33-35-54-56(39-44)61(45-24-9-3-10-25-45,46-26-11-4-12-27-46)55-38-34-42-21-13-14-29-49(42)59(54)55/h1-40H
InChIKeyUSEQJOHEGZRSMD-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.48
Rot. Bonds7

About 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine

2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 168777450) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID168777450
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccccc6c4-5)c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N2/c1-5-19-41(20-6-1)47-28-15-18-32-52(47)58-40-57(43-22-7-2-8-23-43)62-60(63-58)53-37-36-48(50-30-16-17-31-51(50)53)44-33-35-54-56(39-44)61(45-24-9-3-10-25-45,46-26-11-4-12-27-46)55-38-34-42-21-13-14-29-49(42)59(54)55/h1-40H
InChIKeyUSEQJOHEGZRSMD-UHFFFAOYSA-N
XLogP15.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778962
2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779212
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168776669
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777873
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798
4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168777926
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 168777945
4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779543
2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168780032

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine (CID 168777450) is 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccccc6c4-5)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is USEQJOHEGZRSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-5-19-41(20-6-1)47-28-15-18-32-52(47)58-40-57(43-22-7-2-8-23-43)62-60(63-58)53-37-36-48(50-30-16-17-31-51(50)53)44-33-35-54-56(39-44)61(45-24-9-3-10-25-45,46-26-11-4-12-27-46)55-38-34-42-21-13-14-29-49(42)59(54)55/h1-40H.
What are the key properties of 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 801.01 g/mol, XLogP of 15.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 168777450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).