2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine

C61H40N2 — CID 168779212

IUPAC2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4c(ccc6ccccc46)C5(c4ccccc4)c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N2/c1-5-20-41(21-6-1)46-29-15-18-33-51(46)57-40-56(43-23-7-2-8-24-43)62-60(63-57)53-38-37-50(48-31-16-17-32-49(48)53)52-34-19-35-54-59(52)58-47-30-14-13-22-42(47)36-39-55(58)61(54,44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-40H
InChIKeyKXWXFNQXOLQZQK-UHFFFAOYSA-N
MW801.00 g/mol
LogP15.48
Rot. Bonds7

About 2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine

2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 168779212) has the molecular formula C61H40N2 and a molecular weight of 801.00 g/mol. Its IUPAC name is 2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID168779212
Molecular FormulaC61H40N2
Molecular Weight801.00 g/mol
Exact Mass800.32
IUPAC Name2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4c(ccc6ccccc46)C5(c4ccccc4)c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N2/c1-5-20-41(21-6-1)46-29-15-18-33-51(46)57-40-56(43-23-7-2-8-24-43)62-60(63-57)53-38-37-50(48-31-16-17-32-49(48)53)52-34-19-35-54-59(52)58-47-30-14-13-22-42(47)36-39-55(58)61(54,44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-40H
InChIKeyKXWXFNQXOLQZQK-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 ≤ 500801.00
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
4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779543
2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777450
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779478
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776711
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168779572
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
5-[4-(2-naphthalen-1-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile
CID 162775821
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168776653
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168779870
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777873
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 168778016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine (CID 168779212) is 2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4c(ccc6ccccc46)C5(c4ccccc4)c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is KXWXFNQXOLQZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-5-20-41(21-6-1)46-29-15-18-33-51(46)57-40-56(43-23-7-2-8-24-43)62-60(63-57)53-38-37-50(48-31-16-17-32-49(48)53)52-34-19-35-54-59(52)58-47-30-14-13-22-42(47)36-39-55(58)61(54,44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-40H.
What are the key properties of 2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 801.00 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[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 168779212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).