2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine

C57H40N2 — CID 168777844

IUPAC2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)n4)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C57H40N2/c1-57(2)51-32-28-41(34-50(51)55-45-23-13-12-20-39(45)27-33-52(55)57)44-30-31-48(47-25-15-14-24-46(44)47)56-58-53(40-21-10-5-11-22-40)36-54(59-56)42-26-29-43(37-16-6-3-7-17-37)49(35-42)38-18-8-4-9-19-38/h3-36H,1-2H3
InChIKeyKVUOWWZVWFVNQL-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.09
Rot. Bonds6

About 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine

2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine (PubChem CID 168777844) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine
PubChem CID168777844
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)n4)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C57H40N2/c1-57(2)51-32-28-41(34-50(51)55-45-23-13-12-20-39(45)27-33-52(55)57)44-30-31-48(47-25-15-14-24-46(44)47)56-58-53(40-21-10-5-11-22-40)36-54(59-56)42-26-29-43(37-16-6-3-7-17-37)49(35-42)38-18-8-4-9-19-38/h3-36H,1-2H3
InChIKeyKVUOWWZVWFVNQL-UHFFFAOYSA-N
XLogP15.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779175
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
CID 168778339
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168777892
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168779793
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168776669
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 168777005
2-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777222
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777873
5-[2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidin-4-yl]quinoline
CID 168777015
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-pyridin-3-ylpyrimidine
CID 168777020
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036
4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779895

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine (CID 168777844) is 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine is CC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)n4)c4ccccc34)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine?
The InChIKey is KVUOWWZVWFVNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)51-32-28-41(34-50(51)55-45-23-13-12-20-39(45)27-33-52(55)57)44-30-31-48(47-25-15-14-24-46(44)47)56-58-53(40-21-10-5-11-22-40)36-54(59-56)42-26-29-43(37-16-6-3-7-17-37)49(35-42)38-18-8-4-9-19-38/h3-36H,1-2H3.
What are the key properties of 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine?
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine has a molecular weight of 752.96 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 168777844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).