3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine

C172H114N14 — CID 158992697

IUPAC3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine
SMILESc1ccc(-c2nc(-c3ccccc3)c(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N5.C58H41N5.C56H36N4/c1-4-18-38(19-5-1)55-57(56(39-20-6-2-7-21-39)60-58(59-55)40-22-8-3-9-23-40)63-52-31-17-13-27-46(52)48-37-42(33-35-54(48)63)62-51-30-16-12-26-45(51)47-36-41(32-34-53(47)62)61-49-28-14-10-24-43(49)44-25-11-15-29-50(44)61;1-8-22-42(23-9-1)55-57(56(43-24-10-2-11-25-43)60-58(59-55)44-26-12-3-13-27-44)63-53-38-36-49(61(45-28-14-4-15-29-45)46-30-16-5-17-31-46)40-51(53)52-41-50(37-39-54(52)63)62(47-32-18-6-19-33-47)48-34-20-7-21-35-48;1-4-17-38(18-5-1)53-55(54(39-19-6-2-7-20-39)58-56(57-53)40-21-8-3-9-22-40)60-50-27-15-13-25-46(50)48-36-43(30-33-52(48)60)42-29-32-51-47(35-42)45-24-12-14-26-49(45)59(51)44-31-28-37-16-10-11-23-41(37)34-44/h1-37H;1-41H;1-36H
InChIKeyJQIZIELNIGMXRY-UHFFFAOYSA-N
MW2376.90 g/mol
LogP44.78
Rot. Bonds22

About 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine

3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine (PubChem CID 158992697) has the molecular formula C172H114N14 and a molecular weight of 2376.90 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine
PubChem CID158992697
Molecular FormulaC172H114N14
Molecular Weight2376.90 g/mol
Exact Mass2374.94
IUPAC Name3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine
SMILESc1ccc(-c2nc(-c3ccccc3)c(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N5.C58H41N5.C56H36N4/c1-4-18-38(19-5-1)55-57(56(39-20-6-2-7-21-39)60-58(59-55)40-22-8-3-9-23-40)63-52-31-17-13-27-46(52)48-37-42(33-35-54(48)63)62-51-30-16-12-26-45(51)47-36-41(32-34-53(47)62)61-49-28-14-10-24-43(49)44-25-11-15-29-50(44)61;1-8-22-42(23-9-1)55-57(56(43-24-10-2-11-25-43)60-58(59-55)44-26-12-3-13-27-44)63-53-38-36-49(61(45-28-14-4-15-29-45)46-30-16-5-17-31-46)40-51(53)52-41-50(37-39-54(52)63)62(47-32-18-6-19-33-47)48-34-20-7-21-35-48;1-4-17-38(18-5-1)53-55(54(39-19-6-2-7-20-39)58-56(57-53)40-21-8-3-9-22-40)60-50-27-15-13-25-46(50)48-36-43(30-33-52(48)60)42-29-32-51-47(35-42)45-24-12-14-26-49(45)59(51)44-31-28-37-16-10-11-23-41(37)34-44/h1-37H;1-41H;1-36H
InChIKeyJQIZIELNIGMXRY-UHFFFAOYSA-N
XLogP44.78
TPSA113.40 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002376.90
LogP ≤ 544.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine with MolForge

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Related Compounds

3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-N,N-diphenylcarbazol-3-amine
CID 90211143
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
4-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211161
4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 165383888
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine?
The IUPAC name of 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine (CID 158992697) is 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine?
The canonical SMILES for 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine is c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine?
The InChIKey is JQIZIELNIGMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5.C58H41N5.C56H36N4/c1-4-18-38(19-5-1)55-57(56(39-20-6-2-7-21-39)60-58(59-55)40-22-8-3-9-23-40)63-52-31-17-13-27-46(52)48-37-42(33-35-54(48)63)62-51-30-16-12-26-45(51)47-36-41(32-34-53(47)62)61-49-28-14-10-24-43(49)44-25-11-15-29-50(44)61;1-8-22-42(23-9-1)55-57(56(43-24-10-2-11-25-43)60-58(59-55)44-26-12-3-13-27-44)63-53-38-36-49(61(45-28-14-4-15-29-45)46-30-16-5-17-31-46)40-51(53)52-41-50(37-39-54(52)63)62(47-32-18-6-19-33-47)48-34-20-7-21-35-48;1-4-17-38(18-5-1)53-55(54(39-19-6-2-7-20-39)58-56(57-53)40-21-8-3-9-22-40)60-50-27-15-13-25-46(50)48-36-43(30-33-52(48)60)42-29-32-51-47(35-42)45-24-12-14-26-49(45)59(51)44-31-28-37-16-10-11-23-41(37)34-44/h1-37H;1-41H;1-36H.
What are the key properties of 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine?
3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine has a molecular weight of 2376.90 g/mol, XLogP of 44.78, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine is sourced from PubChem (CID 158992697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).