1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole

C53H34N4 — CID 71127177

IUPAC1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)c32)cc1
InChIInChI=1S/C53H34N4/c1-3-17-35(18-4-1)56-50-31-13-9-23-40(50)42-25-15-27-44(52(42)56)46-33-37(55-48-29-11-7-21-38(48)39-22-8-12-30-49(39)55)34-47(54-46)45-28-16-26-43-41-24-10-14-32-51(41)57(53(43)45)36-19-5-2-6-20-36/h1-34H
InChIKeyILSAWRCBIVWJIR-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.71
Rot. Bonds5

About 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole

1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole (PubChem CID 71127177) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
PubChem CID71127177
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)c32)cc1
InChIInChI=1S/C53H34N4/c1-3-17-35(18-4-1)56-50-31-13-9-23-40(50)42-25-15-27-44(52(42)56)46-33-37(55-48-29-11-7-21-38(48)39-22-8-12-30-49(39)55)34-47(54-46)45-28-16-26-43-41-24-10-14-32-51(41)57(53(43)45)36-19-5-2-6-20-36/h1-34H
InChIKeyILSAWRCBIVWJIR-UHFFFAOYSA-N
XLogP13.71
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
CID 71164663
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
CID 118041109
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 166512002
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole
CID 129221438
1-[2-isoquinolin-8-yl-6-(9-phenylcarbazol-1-yl)pyrimidin-4-yl]-9-phenylcarbazole
CID 71127145
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155335011
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306

Frequently Asked Questions

What is the IUPAC name of 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole (CID 71127177) is 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)c32)cc1.
What is the InChIKey of 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
The InChIKey is ILSAWRCBIVWJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-3-17-35(18-4-1)56-50-31-13-9-23-40(50)42-25-15-27-44(52(42)56)46-33-37(55-48-29-11-7-21-38(48)39-22-8-12-30-49(39)55)34-47(54-46)45-28-16-26-43-41-24-10-14-32-51(41)57(53(43)45)36-19-5-2-6-20-36/h1-34H.
What are the key properties of 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole has a molecular weight of 726.88 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 71127177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).