11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole

C57H36N4 — CID 144568618

IUPAC11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-n6c7ccccc7c7ccc8ccccc8c76)c5)n4)ccc32)cc1
InChIInChI=1S/C57H36N4/c1-2-16-41(17-3-1)59-51-24-9-7-21-45(51)48-35-38(29-32-54(48)59)39-30-33-55-49(36-39)46-22-8-11-26-53(46)61(55)56-27-13-23-50(58-56)40-15-12-18-42(34-40)60-52-25-10-6-20-44(52)47-31-28-37-14-4-5-19-43(37)57(47)60/h1-36H
InChIKeyODMXWJUDCUHNCS-UHFFFAOYSA-N
MW776.94 g/mol
LogP14.86
Rot. Bonds5

About 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole

11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole (PubChem CID 144568618) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
PubChem CID144568618
Molecular FormulaC57H36N4
Molecular Weight776.94 g/mol
Exact Mass776.29
IUPAC Name11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-n6c7ccccc7c7ccc8ccccc8c76)c5)n4)ccc32)cc1
InChIInChI=1S/C57H36N4/c1-2-16-41(17-3-1)59-51-24-9-7-21-45(51)48-35-38(29-32-54(48)59)39-30-33-55-49(36-39)46-22-8-11-26-53(46)61(55)56-27-13-23-50(58-56)40-15-12-18-42(34-40)60-52-25-10-6-20-44(52)47-31-28-37-14-4-5-19-43(37)57(47)60/h1-36H
InChIKeyODMXWJUDCUHNCS-UHFFFAOYSA-N
XLogP14.86
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
CID 158139061
5-phenyl-12-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[3-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole;12-phenyl-5-[3-[5-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-12-yl]phenyl]indolo[3,2-c]carbazole;5-(6-phenyl-2-pyridinyl)-12-[3-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 160727594
12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 58570101
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 58570039
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 170268381
3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole
CID 118508713
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 160598852
11-phenyl-12-[6-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 134240187
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405

Frequently Asked Questions

What is the IUPAC name of 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole?
The IUPAC name of 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole (CID 144568618) is 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole.
What is the SMILES notation for 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole?
The canonical SMILES for 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-n6c7ccccc7c7ccc8ccccc8c76)c5)n4)ccc32)cc1.
What is the InChIKey of 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole?
The InChIKey is ODMXWJUDCUHNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-2-16-41(17-3-1)59-51-24-9-7-21-45(51)48-35-38(29-32-54(48)59)39-30-33-55-49(36-39)46-22-8-11-26-53(46)61(55)56-27-13-23-50(58-56)40-15-12-18-42(34-40)60-52-25-10-6-20-44(52)47-31-28-37-14-4-5-19-43(37)57(47)60/h1-36H.
What are the key properties of 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole?
11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole has a molecular weight of 776.94 g/mol, XLogP of 14.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole is sourced from PubChem (CID 144568618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).