2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline

C77H57N7 — CID 156674178

IUPAC2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline
SMILESc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ncccn5)cc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc(-c5ccccn5)c4)c3)cc2)nc1
InChIInChI=1S/C77H57N7/c1-2-18-67(66(17-1)62-50-56(28-26-54-30-34-58(35-31-54)71-21-7-10-44-78-71)49-57(51-62)29-27-55-32-36-59(37-33-55)72-22-8-11-45-79-72)70-43-38-61(77-81-47-14-48-82-77)53-76(70)83(65-16-13-15-60(52-65)73-23-9-12-46-80-73)63-39-41-64(42-40-63)84-74-24-5-3-19-68(74)69-20-4-6-25-75(69)84/h1-25,30-53H,26-29H2
InChIKeyHTGWFYOXDURTIE-UHFFFAOYSA-N
MW1080.35 g/mol
LogP18.80
Rot. Bonds16

About 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline

2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline (PubChem CID 156674178) has the molecular formula C77H57N7 and a molecular weight of 1080.35 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline.

Molecular Properties

Compound Name2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline
PubChem CID156674178
Molecular FormulaC77H57N7
Molecular Weight1080.35 g/mol
Exact Mass1079.47
IUPAC Name2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline
SMILESc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ncccn5)cc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc(-c5ccccn5)c4)c3)cc2)nc1
InChIInChI=1S/C77H57N7/c1-2-18-67(66(17-1)62-50-56(28-26-54-30-34-58(35-31-54)71-21-7-10-44-78-71)49-57(51-62)29-27-55-32-36-59(37-33-55)72-22-8-11-45-79-72)70-43-38-61(77-81-47-14-48-82-77)53-76(70)83(65-16-13-15-60(52-65)73-23-9-12-46-80-73)63-39-41-64(42-40-63)84-74-24-5-3-19-68(74)69-20-4-6-25-75(69)84/h1-25,30-53H,26-29H2
InChIKeyHTGWFYOXDURTIE-UHFFFAOYSA-N
XLogP18.80
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.35
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211181
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(4-pyridin-2-ylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-amine
CID 158911182
N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908469
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790997
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 126628034
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398519

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline?
The IUPAC name of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline (CID 156674178) is 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline.
What is the SMILES notation for 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline?
The canonical SMILES for 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline is c1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ncccn5)cc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc(-c5ccccn5)c4)c3)cc2)nc1.
What is the InChIKey of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline?
The InChIKey is HTGWFYOXDURTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H57N7/c1-2-18-67(66(17-1)62-50-56(28-26-54-30-34-58(35-31-54)71-21-7-10-44-78-71)49-57(51-62)29-27-55-32-36-59(37-33-55)72-22-8-11-45-79-72)70-43-38-61(77-81-47-14-48-82-77)53-76(70)83(65-16-13-15-60(52-65)73-23-9-12-46-80-73)63-39-41-64(42-40-63)84-74-24-5-3-19-68(74)69-20-4-6-25-75(69)84/h1-25,30-53H,26-29H2.
What are the key properties of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline?
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline has a molecular weight of 1080.35 g/mol, XLogP of 18.80, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(3-pyridin-2-ylphenyl)-5-pyrimidin-2-ylaniline is sourced from PubChem (CID 156674178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).