3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole

C66H43N3 — CID 170001752

IUPAC3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H43N3/c1-6-16-44(17-7-1)48-26-32-61-55(38-48)56-39-49(45-18-8-2-9-19-45)27-33-62(56)68(61)53-30-36-65-59(42-53)60-43-54(31-37-66(60)67(65)52-24-14-5-15-25-52)69-63-34-28-50(46-20-10-3-11-21-46)40-57(63)58-41-51(29-35-64(58)69)47-22-12-4-13-23-47/h1-43H
InChIKeyAYVZXKXEKJIMGV-UHFFFAOYSA-N
MW878.09 g/mol
LogP17.65
Rot. Bonds7

About 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole

3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole (PubChem CID 170001752) has the molecular formula C66H43N3 and a molecular weight of 878.09 g/mol. Its IUPAC name is 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
PubChem CID170001752
Molecular FormulaC66H43N3
Molecular Weight878.09 g/mol
Exact Mass877.35
IUPAC Name3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H43N3/c1-6-16-44(17-7-1)48-26-32-61-55(38-48)56-39-49(45-18-8-2-9-19-45)27-33-62(56)68(61)53-30-36-65-59(42-53)60-43-54(31-37-66(60)67(65)52-24-14-5-15-25-52)69-63-34-28-50(46-20-10-3-11-21-46)40-57(63)58-41-51(29-35-64(58)69)47-22-12-4-13-23-47/h1-43H
InChIKeyAYVZXKXEKJIMGV-UHFFFAOYSA-N
XLogP17.65
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.09
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole?
The IUPAC name of 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole (CID 170001752) is 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole?
The InChIKey is AYVZXKXEKJIMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3/c1-6-16-44(17-7-1)48-26-32-61-55(38-48)56-39-49(45-18-8-2-9-19-45)27-33-62(56)68(61)53-30-36-65-59(42-53)60-43-54(31-37-66(60)67(65)52-24-14-5-15-25-52)69-63-34-28-50(46-20-10-3-11-21-46)40-57(63)58-41-51(29-35-64(58)69)47-22-12-4-13-23-47/h1-43H.
What are the key properties of 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole?
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole has a molecular weight of 878.09 g/mol, XLogP of 17.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 170001752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).