1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole

C53H36N4 — CID 71164663

IUPAC1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
SMILESC1=C(c2cc(-n3c4ccccc4c4ccccc43)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c2c(c3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C53H36N4/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/h1-15,17-25,27-34H,16,26H2
InChIKeyHIARKDLCYKRERJ-UHFFFAOYSA-N
MW728.90 g/mol
LogP13.26
Rot. Bonds5

About 1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole

1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole (PubChem CID 71164663) has the molecular formula C53H36N4 and a molecular weight of 728.90 g/mol. Its IUPAC name is 1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
PubChem CID71164663
Molecular FormulaC53H36N4
Molecular Weight728.90 g/mol
Exact Mass728.29
IUPAC Name1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
SMILESC1=C(c2cc(-n3c4ccccc4c4ccccc43)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c2c(c3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C53H36N4/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/h1-15,17-25,27-34H,16,26H2
InChIKeyHIARKDLCYKRERJ-UHFFFAOYSA-N
XLogP13.26
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
CID 71127177
5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole
CID 144884820
11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
CID 118041109
1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149305
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 166512002
1-[2-isoquinolin-8-yl-6-(9-phenylcarbazol-1-yl)pyrimidin-4-yl]-9-phenylcarbazole
CID 71127145
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155335011
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744

Frequently Asked Questions

What is the IUPAC name of 1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole (CID 71164663) is 1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole is C1=C(c2cc(-n3c4ccccc4c4ccccc43)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c2c(c3ccccc3n2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
The InChIKey is HIARKDLCYKRERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4/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/h1-15,17-25,27-34H,16,26H2.
What are the key properties of 1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
1-[4-carbazol-9-yl-6-(9-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole has a molecular weight of 728.90 g/mol, XLogP of 13.26, 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-phenyl-3,4-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 71164663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).