3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline

C182H124N14 — CID 158809407

IUPAC3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)n3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C63H42N4.C62H42N6.C57H40N4/c1-6-18-43(19-7-1)58-38-52(39-59(65-58)44-20-8-2-9-21-44)50-34-49(35-51(36-50)53-40-60(45-22-10-3-11-23-45)66-61(41-53)46-24-12-4-13-25-46)48-30-32-57(64-42-48)47-31-33-63-56(37-47)55-28-16-17-29-62(55)67(63)54-26-14-5-15-27-54;1-6-20-43(21-7-1)55-41-57(65-61(63-55)45-24-10-3-11-25-45)47-38-48(58-42-56(44-22-8-2-9-23-44)64-62(66-58)46-26-12-4-13-27-46)40-52(39-47)67(49-28-14-5-15-29-49)50-34-36-51(37-35-50)68-59-32-18-16-30-53(59)54-31-17-19-33-60(54)68;1-7-19-42(20-8-1)52-37-47(38-53(58-52)43-21-9-2-10-22-43)56-35-46(41-31-33-51(34-32-41)61(49-27-15-5-16-28-49)50-29-17-6-18-30-50)36-57(60-56)48-39-54(44-23-11-3-12-24-44)59-55(40-48)45-25-13-4-14-26-45/h1-42H;1-42H;1-40H
InChIKeyIUMHZKRIKPQINI-UHFFFAOYSA-N
MW2507.09 g/mol
LogP47.15
Rot. Bonds29

About 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline

3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline (PubChem CID 158809407) has the molecular formula C182H124N14 and a molecular weight of 2507.09 g/mol. Its IUPAC name is 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline.

Molecular Properties

Compound Name3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline
PubChem CID158809407
Molecular FormulaC182H124N14
Molecular Weight2507.09 g/mol
Exact Mass2505.01
IUPAC Name3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)n3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C63H42N4.C62H42N6.C57H40N4/c1-6-18-43(19-7-1)58-38-52(39-59(65-58)44-20-8-2-9-21-44)50-34-49(35-51(36-50)53-40-60(45-22-10-3-11-23-45)66-61(41-53)46-24-12-4-13-25-46)48-30-32-57(64-42-48)47-31-33-63-56(37-47)55-28-16-17-29-62(55)67(63)54-26-14-5-15-27-54;1-6-20-43(21-7-1)55-41-57(65-61(63-55)45-24-10-3-11-25-45)47-38-48(58-42-56(44-22-8-2-9-23-44)64-62(66-58)46-26-12-4-13-27-46)40-52(39-47)67(49-28-14-5-15-29-49)50-34-36-51(37-35-50)68-59-32-18-16-30-53(59)54-31-17-19-33-60(54)68;1-7-19-42(20-8-1)52-37-47(38-53(58-52)43-21-9-2-10-22-43)56-35-46(41-31-33-51(34-32-41)61(49-27-15-5-16-28-49)50-29-17-6-18-30-50)36-57(60-56)48-39-54(44-23-11-3-12-24-44)59-55(40-48)45-25-13-4-14-26-45/h1-42H;1-42H;1-40H
InChIKeyIUMHZKRIKPQINI-UHFFFAOYSA-N
XLogP47.15
TPSA145.24 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002507.09
LogP ≤ 547.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline with MolForge

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Related Compounds

3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 135252863
N-[4-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-phenyl-5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 163923902
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161375689
3-carbazol-9-yl-9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 162231924
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157474914
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline?
The IUPAC name of 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline (CID 158809407) is 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline.
What is the SMILES notation for 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline?
The canonical SMILES for 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)n3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline?
The InChIKey is IUMHZKRIKPQINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4.C62H42N6.C57H40N4/c1-6-18-43(19-7-1)58-38-52(39-59(65-58)44-20-8-2-9-21-44)50-34-49(35-51(36-50)53-40-60(45-22-10-3-11-23-45)66-61(41-53)46-24-12-4-13-25-46)48-30-32-57(64-42-48)47-31-33-63-56(37-47)55-28-16-17-29-62(55)67(63)54-26-14-5-15-27-54;1-6-20-43(21-7-1)55-41-57(65-61(63-55)45-24-10-3-11-25-45)47-38-48(58-42-56(44-22-8-2-9-23-44)64-62(66-58)46-26-12-4-13-27-46)40-52(39-47)67(49-28-14-5-15-29-49)50-34-36-51(37-35-50)68-59-32-18-16-30-53(59)54-31-17-19-33-60(54)68;1-7-19-42(20-8-1)52-37-47(38-53(58-52)43-21-9-2-10-22-43)56-35-46(41-31-33-51(34-32-41)61(49-27-15-5-16-28-49)50-29-17-6-18-30-50)36-57(60-56)48-39-54(44-23-11-3-12-24-44)59-55(40-48)45-25-13-4-14-26-45/h1-42H;1-42H;1-40H.
What are the key properties of 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline?
3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline has a molecular weight of 2507.09 g/mol, XLogP of 47.15, 29 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline is sourced from PubChem (CID 158809407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).