2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole

C120H81N5O — CID 159698272

IUPAC2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2Oc3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)n5)c5ccccc45)cccc3C2C=C1.C1=CC2c3cccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)n5)c5ccccc45)c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C66H45N3.C54H36N2O/c1-3-15-44(16-4-1)45-29-31-46(32-30-45)47-33-37-50(38-34-47)62-43-63(51-39-35-49(36-40-51)54-25-13-18-48-17-7-8-21-53(48)54)68-66(67-62)61-42-41-57(55-22-9-10-23-56(55)61)59-26-14-27-60-58-24-11-12-28-64(58)69(65(59)60)52-19-5-2-6-20-52;1-2-12-35(13-3-1)36-24-28-39(29-25-36)50-34-51(40-30-26-38(27-31-40)42-20-10-15-37-14-4-5-16-41(37)42)56-54(55-50)49-33-32-45(43-17-6-7-18-44(43)49)47-21-11-22-48-46-19-8-9-23-52(46)57-53(47)48/h1-43,58,64H;1-34,46,52H
InChIKeyMXHGZKZHDGFCRR-UHFFFAOYSA-N
MW1609.00 g/mol
LogP30.94
Rot. Bonds14

About 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole

2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole (PubChem CID 159698272) has the molecular formula C120H81N5O and a molecular weight of 1609.00 g/mol. Its IUPAC name is 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
PubChem CID159698272
Molecular FormulaC120H81N5O
Molecular Weight1609.00 g/mol
Exact Mass1607.64
IUPAC Name2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2Oc3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)n5)c5ccccc45)cccc3C2C=C1.C1=CC2c3cccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)n5)c5ccccc45)c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C66H45N3.C54H36N2O/c1-3-15-44(16-4-1)45-29-31-46(32-30-45)47-33-37-50(38-34-47)62-43-63(51-39-35-49(36-40-51)54-25-13-18-48-17-7-8-21-53(48)54)68-66(67-62)61-42-41-57(55-22-9-10-23-56(55)61)59-26-14-27-60-58-24-11-12-28-64(58)69(65(59)60)52-19-5-2-6-20-52;1-2-12-35(13-3-1)36-24-28-39(29-25-36)50-34-51(40-30-26-38(27-31-40)42-20-10-15-37-14-4-5-16-41(37)42)56-54(55-50)49-33-32-45(43-17-6-7-18-44(43)49)47-21-11-22-48-46-19-8-9-23-52(46)57-53(47)48/h1-43,58,64H;1-34,46,52H
InChIKeyMXHGZKZHDGFCRR-UHFFFAOYSA-N
XLogP30.94
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001609.00
LogP ≤ 530.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole with MolForge

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Related Compounds

8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 159103905
8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 170153049
6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran
CID 155426393
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
9-[2-(4a,9a-dihydrocarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 163606188
N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine
CID 175614803
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine
CID 170026171
2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
CID 167349804
9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran
CID 165170050
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine
CID 135215553

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The IUPAC name of 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole (CID 159698272) is 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole.
What is the SMILES notation for 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The canonical SMILES for 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole is C1=CC2Oc3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)n5)c5ccccc45)cccc3C2C=C1.C1=CC2c3cccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)n5)c5ccccc45)c3N(c3ccccc3)C2C=C1.
What is the InChIKey of 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The InChIKey is MXHGZKZHDGFCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3.C54H36N2O/c1-3-15-44(16-4-1)45-29-31-46(32-30-45)47-33-37-50(38-34-47)62-43-63(51-39-35-49(36-40-51)54-25-13-18-48-17-7-8-21-53(48)54)68-66(67-62)61-42-41-57(55-22-9-10-23-56(55)61)59-26-14-27-60-58-24-11-12-28-64(58)69(65(59)60)52-19-5-2-6-20-52;1-2-12-35(13-3-1)36-24-28-39(29-25-36)50-34-51(40-30-26-38(27-31-40)42-20-10-15-37-14-4-5-16-41(37)42)56-54(55-50)49-33-32-45(43-17-6-7-18-44(43)49)47-21-11-22-48-46-19-8-9-23-52(46)57-53(47)48/h1-43,58,64H;1-34,46,52H.
What are the key properties of 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole has a molecular weight of 1609.00 g/mol, XLogP of 30.94, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole is sourced from PubChem (CID 159698272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).