4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine

C61H40N2 — CID 168777357

IUPAC4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc6c(c5)-c5c(ccc7ccccc57)C6(c5ccccc5)c5ccccc5)c5ccccc45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C61H40N2/c1-5-18-41(19-6-1)44-23-17-24-46(38-44)57-40-58(63-60(62-57)43-21-7-2-8-22-43)53-35-34-49(51-30-15-16-31-52(51)53)45-33-36-55-54(39-45)59-50-29-14-13-20-42(50)32-37-56(59)61(55,47-25-9-3-10-26-47)48-27-11-4-12-28-48/h1-40H
InChIKeyJAEMEFMQNBIYNQ-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.48
Rot. Bonds7

About 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine

4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 168777357) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID168777357
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc6c(c5)-c5c(ccc7ccccc57)C6(c5ccccc5)c5ccccc5)c5ccccc45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C61H40N2/c1-5-18-41(19-6-1)44-23-17-24-46(38-44)57-40-58(63-60(62-57)43-21-7-2-8-22-43)53-35-34-49(51-30-15-16-31-52(51)53)45-33-36-55-54(39-45)59-50-29-14-13-20-42(50)32-37-56(59)61(55,47-25-9-3-10-26-47)48-27-11-4-12-28-48/h1-40H
InChIKeyJAEMEFMQNBIYNQ-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

Analyze 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450602
4-[4-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777168
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778142
4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168777155
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168777720
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (CID 168777357) is 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc6c(c5)-c5c(ccc7ccccc57)C6(c5ccccc5)c5ccccc5)c5ccccc45)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is JAEMEFMQNBIYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-5-18-41(19-6-1)44-23-17-24-46(38-44)57-40-58(63-60(62-57)43-21-7-2-8-22-43)53-35-34-49(51-30-15-16-31-52(51)53)45-33-36-55-54(39-45)59-50-29-14-13-20-42(50)32-37-56(59)61(55,47-25-9-3-10-26-47)48-27-11-4-12-28-48/h1-40H.
What are the key properties of 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-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 4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 168777357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).