2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine

C59H40N2 — CID 166777359

IUPAC2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
SMILESC1=CC2=Cc3c(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)cc(-c6ccc(-c7cccc8c7C=CCC8)c7ccccc67)n5)cc4)cccc3C2C=C1
InChIInChI=1S/C59H40N2/c1-4-17-45-38(12-1)15-9-22-46(45)40-26-30-42(31-27-40)57-37-58(55-35-34-54(52-20-7-8-21-53(52)55)50-24-10-16-39-13-2-5-18-47(39)50)61-59(60-57)43-32-28-41(29-33-43)48-23-11-25-51-49-19-6-3-14-44(49)36-56(48)51/h1,3-12,14-37,49H,2,13H2
InChIKeyZYKRGRONFJVRRL-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.35
Rot. Bonds6

About 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine

2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine (PubChem CID 166777359) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
PubChem CID166777359
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC Name2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
SMILESC1=CC2=Cc3c(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)cc(-c6ccc(-c7cccc8c7C=CCC8)c7ccccc67)n5)cc4)cccc3C2C=C1
InChIInChI=1S/C59H40N2/c1-4-17-45-38(12-1)15-9-22-46(45)40-26-30-42(31-27-40)57-37-58(55-35-34-54(52-20-7-8-21-53(52)55)50-24-10-16-39-13-2-5-18-47(39)50)61-59(60-57)43-32-28-41(29-33-43)48-23-11-25-51-49-19-6-3-14-44(49)36-56(48)51/h1,3-12,14-37,49H,2,13H2
InChIKeyZYKRGRONFJVRRL-UHFFFAOYSA-N
XLogP15.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine
CID 166977802
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734376
4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 122447956
1-[4-[4-(4a,10a-dihydrophenanthren-9-yl)-6-(1,2-dihydrophenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline
CID 130184272
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
4-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 167413057
5-(5,6-dihydronaphthalen-1-yl)-1,2-dihydronaphthalene;5-(5,8-dihydronaphthalen-1-yl)-1,4-dihydronaphthalene;8-(7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalene;1-naphthalen-1-ylnaphthalene;1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
CID 159953574
N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 163622933
4-[(7Z,9Z)-6-methylidenespiro[11H-benzo[9]annulene-5,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 130267924
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine?
The IUPAC name of 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine (CID 166777359) is 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine is C1=CC2=Cc3c(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)cc(-c6ccc(-c7cccc8c7C=CCC8)c7ccccc67)n5)cc4)cccc3C2C=C1.
What is the InChIKey of 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine?
The InChIKey is ZYKRGRONFJVRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-4-17-45-38(12-1)15-9-22-46(45)40-26-30-42(31-27-40)57-37-58(55-35-34-54(52-20-7-8-21-53(52)55)50-24-10-16-39-13-2-5-18-47(39)50)61-59(60-57)43-32-28-41(29-33-43)48-23-11-25-51-49-19-6-3-14-44(49)36-56(48)51/h1,3-12,14-37,49H,2,13H2.
What are the key properties of 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine?
2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine has a molecular weight of 776.98 g/mol, XLogP of 15.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine is sourced from PubChem (CID 166777359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).