4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine

C70H46N2 — CID 168777926

IUPAC4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C70H46N2/c1-6-22-47(23-7-1)66-46-67(49-38-40-59-57-34-18-20-36-62(57)70(65(59)45-49,52-28-12-4-13-29-52)53-30-14-5-15-31-53)72-68(71-66)60-42-41-54(55-32-16-17-33-56(55)60)48-39-43-64-61(44-48)58-35-19-21-37-63(58)69(64,50-24-8-2-9-25-50)51-26-10-3-11-27-51/h1-46H
InChIKeyMQSZUXMKCNVHMH-UHFFFAOYSA-N
MW915.15 g/mol
LogP17.02
Rot. Bonds8

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

4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine (PubChem CID 168777926) has the molecular formula C70H46N2 and a molecular weight of 915.15 g/mol. Its IUPAC name is 4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine
PubChem CID168777926
Molecular FormulaC70H46N2
Molecular Weight915.15 g/mol
Exact Mass914.37
IUPAC Name4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C70H46N2/c1-6-22-47(23-7-1)66-46-67(49-38-40-59-57-34-18-20-36-62(57)70(65(59)45-49,52-28-12-4-13-29-52)53-30-14-5-15-31-53)72-68(71-66)60-42-41-54(55-32-16-17-33-56(55)60)48-39-43-64-61(44-48)58-35-19-21-37-63(58)69(64,50-24-8-2-9-25-50)51-26-10-3-11-27-51/h1-46H
InChIKeyMQSZUXMKCNVHMH-UHFFFAOYSA-N
XLogP17.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.15
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168780032
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
4-[4-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777168
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 176834778
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778142
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-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine (CID 168777926) is 4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine.
What is the SMILES notation for 4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The canonical SMILES for 4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The InChIKey is MQSZUXMKCNVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2/c1-6-22-47(23-7-1)66-46-67(49-38-40-59-57-34-18-20-36-62(57)70(65(59)45-49,52-28-12-4-13-29-52)53-30-14-5-15-31-53)72-68(71-66)60-42-41-54(55-32-16-17-33-56(55)60)48-39-43-64-61(44-48)58-35-19-21-37-63(58)69(64,50-24-8-2-9-25-50)51-26-10-3-11-27-51/h1-46H.
What are the key properties of 4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine?
4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine has a molecular weight of 915.15 g/mol, XLogP of 17.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine is sourced from PubChem (CID 168777926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).