4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

C63H42N2 — CID 168776635

IUPAC4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C63H42N2/c1-5-18-43(19-6-1)44-32-34-46(35-33-44)62-64-60(45-20-7-2-8-21-45)42-61(65-62)57-39-38-52(53-28-13-14-29-54(53)57)49-23-17-22-47(40-49)48-36-37-56-55-30-15-16-31-58(55)63(59(56)41-48,50-24-9-3-10-25-50)51-26-11-4-12-27-51/h1-42H
InChIKeyWATCXJVHVVWOND-UHFFFAOYSA-N
MW827.04 g/mol
LogP15.99
Rot. Bonds8

About 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 168776635) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID168776635
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC Name4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C63H42N2/c1-5-18-43(19-6-1)44-32-34-46(35-33-44)62-64-60(45-20-7-2-8-21-45)42-61(65-62)57-39-38-52(53-28-13-14-29-54(53)57)49-23-17-22-47(40-49)48-36-37-56-55-30-15-16-31-58(55)63(59(56)41-48,50-24-9-3-10-25-50)51-26-11-4-12-27-51/h1-42H
InChIKeyWATCXJVHVVWOND-UHFFFAOYSA-N
XLogP15.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777168
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158766572
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778935
4-[4-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778737

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 168776635) is 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is WATCXJVHVVWOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-5-18-43(19-6-1)44-32-34-46(35-33-44)62-64-60(45-20-7-2-8-21-45)42-61(65-62)57-39-38-52(53-28-13-14-29-54(53)57)49-23-17-22-47(40-49)48-36-37-56-55-30-15-16-31-58(55)63(59(56)41-48,50-24-9-3-10-25-50)51-26-11-4-12-27-51/h1-42H.
What are the key properties of 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine has a molecular weight of 827.04 g/mol, XLogP of 15.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 168776635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).