6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole

C104H66N8 — CID 134590951

IUPAC6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccc(-c8ccc9c(c8)c8c(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cccc8n9-c8cccc(-c9nc(-c%10ccccc%10)cc(-c%10ccccc%10)n9)c8)cc6n7-c6ccccc6)cc54)c3)n2)cc1
InChIInChI=1S/C104H66N8/c1-7-26-67(27-8-1)90-65-91(68-28-9-2-10-29-68)106-103(105-90)76-34-23-40-80(58-76)111-98-56-51-72(61-89(98)102-82(44-25-47-99(102)111)75-52-57-96-88(62-75)84-43-20-22-46-95(84)109(96)78-36-15-5-16-37-78)74-49-54-86-87-60-71(50-55-97(87)110(101(86)64-74)79-38-17-6-18-39-79)73-48-53-85-83-42-19-21-45-94(83)112(100(85)63-73)81-41-24-35-77(59-81)104-107-92(69-30-11-3-12-31-69)66-93(108-104)70-32-13-4-14-33-70/h1-66H
InChIKeyQPBYVQXPZKROFX-UHFFFAOYSA-N
MW1427.73 g/mol
LogP26.66
Rot. Bonds13

About 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole

6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 134590951) has the molecular formula C104H66N8 and a molecular weight of 1427.73 g/mol. Its IUPAC name is 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID134590951
Molecular FormulaC104H66N8
Molecular Weight1427.73 g/mol
Exact Mass1426.54
IUPAC Name6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccc(-c8ccc9c(c8)c8c(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cccc8n9-c8cccc(-c9nc(-c%10ccccc%10)cc(-c%10ccccc%10)n9)c8)cc6n7-c6ccccc6)cc54)c3)n2)cc1
InChIInChI=1S/C104H66N8/c1-7-26-67(27-8-1)90-65-91(68-28-9-2-10-29-68)106-103(105-90)76-34-23-40-80(58-76)111-98-56-51-72(61-89(98)102-82(44-25-47-99(102)111)75-52-57-96-88(62-75)84-43-20-22-46-95(84)109(96)78-36-15-5-16-37-78)74-49-54-86-87-60-71(50-55-97(87)110(101(86)64-74)79-38-17-6-18-39-79)73-48-53-85-83-42-19-21-45-94(83)112(100(85)63-73)81-41-24-35-77(59-81)104-107-92(69-30-11-3-12-31-69)66-93(108-104)70-32-13-4-14-33-70/h1-66H
InChIKeyQPBYVQXPZKROFX-UHFFFAOYSA-N
XLogP26.66
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001427.73
LogP ≤ 526.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole with MolForge

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Related Compounds

5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 157082857
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 126630464
bis(3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole);2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157084696
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157250623
2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 158710301
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
3-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-9-phenylcarbazole;4-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-9-phenylcarbazole;9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 159581525
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159883795
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575

Frequently Asked Questions

What is the IUPAC name of 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole (CID 134590951) is 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccc(-c8ccc9c(c8)c8c(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cccc8n9-c8cccc(-c9nc(-c%10ccccc%10)cc(-c%10ccccc%10)n9)c8)cc6n7-c6ccccc6)cc54)c3)n2)cc1.
What is the InChIKey of 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is QPBYVQXPZKROFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H66N8/c1-7-26-67(27-8-1)90-65-91(68-28-9-2-10-29-68)106-103(105-90)76-34-23-40-80(58-76)111-98-56-51-72(61-89(98)102-82(44-25-47-99(102)111)75-52-57-96-88(62-75)84-43-20-22-46-95(84)109(96)78-36-15-5-16-37-78)74-49-54-86-87-60-71(50-55-97(87)110(101(86)64-74)79-38-17-6-18-39-79)73-48-53-85-83-42-19-21-45-94(83)112(100(85)63-73)81-41-24-35-77(59-81)104-107-92(69-30-11-3-12-31-69)66-93(108-104)70-32-13-4-14-33-70/h1-66H.
What are the key properties of 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole?
6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1427.73 g/mol, XLogP of 26.66, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 134590951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).