4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine

C71H48N2 — CID 177079018

IUPAC4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c(-c3ccccc3)c(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C71H48N2/c1-7-22-49(23-8-1)58-46-62(51-40-38-50(39-41-51)55-30-21-31-57(44-55)68-48-67(52-24-9-2-10-25-52)72-70(73-68)54-28-13-4-14-29-54)69(53-26-11-3-12-27-53)63(47-58)56-42-43-66-64(45-56)61-36-19-20-37-65(61)71(66,59-32-15-5-16-33-59)60-34-17-6-18-35-60/h1-48H
InChIKeyROIIIOGALPOWQD-UHFFFAOYSA-N
MW929.18 g/mol
LogP18.18
Rot. Bonds10

About 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine

4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 177079018) has the molecular formula C71H48N2 and a molecular weight of 929.18 g/mol. Its IUPAC name is 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
PubChem CID177079018
Molecular FormulaC71H48N2
Molecular Weight929.18 g/mol
Exact Mass928.38
IUPAC Name4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c(-c3ccccc3)c(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C71H48N2/c1-7-22-49(23-8-1)58-46-62(51-40-38-50(39-41-51)55-30-21-31-57(44-55)68-48-67(52-24-9-2-10-25-52)72-70(73-68)54-28-13-4-14-29-54)69(53-26-11-3-12-27-53)63(47-58)56-42-43-66-64(45-56)61-36-19-20-37-65(61)71(66,59-32-15-5-16-33-59)60-34-17-6-18-35-60/h1-48H
InChIKeyROIIIOGALPOWQD-UHFFFAOYSA-N
XLogP18.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.18
LogP ≤ 518.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134272105
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159851053
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074
2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177079191
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003
4-[4-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777168
4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
CID 160668603
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
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153288013

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine (CID 177079018) is 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c(-c3ccccc3)c(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is ROIIIOGALPOWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N2/c1-7-22-49(23-8-1)58-46-62(51-40-38-50(39-41-51)55-30-21-31-57(44-55)68-48-67(52-24-9-2-10-25-52)72-70(73-68)54-28-13-4-14-29-54)69(53-26-11-3-12-27-53)63(47-58)56-42-43-66-64(45-56)61-36-19-20-37-65(61)71(66,59-32-15-5-16-33-59)60-34-17-6-18-35-60/h1-48H.
What are the key properties of 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 929.18 g/mol, XLogP of 18.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 177079018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).