3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole

C78H50N4 — CID 129061465

IUPAC3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccc(-n5c6ccccc6c6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)cc65)cc4)c3c2)cc1
InChIInChI=1S/C78H50N4/c1-5-17-51(18-6-1)55-30-42-74-67(45-55)64-26-14-16-28-72(64)81(74)61-38-40-66-68-46-56(52-19-7-2-8-20-52)29-41-73(68)80(78(66)50-61)60-35-33-59(34-36-60)79-71-27-15-13-25-63(71)65-39-37-62(49-77(65)79)82-75-43-31-57(53-21-9-3-10-22-53)47-69(75)70-48-58(32-44-76(70)82)54-23-11-4-12-24-54/h1-50H
InChIKeyIXXKFSDQRYUAOY-UHFFFAOYSA-N
MW1043.29 g/mol
LogP20.74
Rot. Bonds8

About 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole

3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole (PubChem CID 129061465) has the molecular formula C78H50N4 and a molecular weight of 1043.29 g/mol. Its IUPAC name is 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
PubChem CID129061465
Molecular FormulaC78H50N4
Molecular Weight1043.29 g/mol
Exact Mass1042.40
IUPAC Name3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccc(-n5c6ccccc6c6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)cc65)cc4)c3c2)cc1
InChIInChI=1S/C78H50N4/c1-5-17-51(18-6-1)55-30-42-74-67(45-55)64-26-14-16-28-72(64)81(74)61-38-40-66-68-46-56(52-19-7-2-8-20-52)29-41-73(68)80(78(66)50-61)60-35-33-59(34-36-60)79-71-27-15-13-25-63(71)65-39-37-62(49-77(65)79)82-75-43-31-57(53-21-9-3-10-22-53)47-69(75)70-48-58(32-44-76(70)82)54-23-11-4-12-24-54/h1-50H
InChIKeyIXXKFSDQRYUAOY-UHFFFAOYSA-N
XLogP20.74
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.29
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole?
The IUPAC name of 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole (CID 129061465) is 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole.
What is the SMILES notation for 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole?
The canonical SMILES for 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccc(-n5c6ccccc6c6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)cc65)cc4)c3c2)cc1.
What is the InChIKey of 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole?
The InChIKey is IXXKFSDQRYUAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N4/c1-5-17-51(18-6-1)55-30-42-74-67(45-55)64-26-14-16-28-72(64)81(74)61-38-40-66-68-46-56(52-19-7-2-8-20-52)29-41-73(68)80(78(66)50-61)60-35-33-59(34-36-60)79-71-27-15-13-25-63(71)65-39-37-62(49-77(65)79)82-75-43-31-57(53-21-9-3-10-22-53)47-69(75)70-48-58(32-44-76(70)82)54-23-11-4-12-24-54/h1-50H.
What are the key properties of 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole?
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole has a molecular weight of 1043.29 g/mol, XLogP of 20.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole is sourced from PubChem (CID 129061465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).