3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole

C77H49N9 — CID 126547990

IUPAC3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cnc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8cc(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)cc(-c9ccccn9)n8)n7)ccc65)cc4)nc3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C77H49N9/c1-4-22-73-62(14-1)63-15-2-5-23-74(63)85(73)60-34-29-51(30-35-60)50-25-27-52(28-26-50)56-46-71(69-19-9-12-41-80-69)84-72(47-56)70-21-13-20-68(83-70)54-33-38-76-65(45-54)64-16-3-6-24-75(64)86(76)61-36-31-53(32-37-61)77-81-48-59(49-82-77)55-42-57(66-17-7-10-39-78-66)44-58(43-55)67-18-8-11-40-79-67/h1-49H
InChIKeyAYALSETXRYVRNU-UHFFFAOYSA-N
MW1100.30 g/mol
LogP18.65
Rot. Bonds11

About 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole

3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole (PubChem CID 126547990) has the molecular formula C77H49N9 and a molecular weight of 1100.30 g/mol. Its IUPAC name is 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole
PubChem CID126547990
Molecular FormulaC77H49N9
Molecular Weight1100.30 g/mol
Exact Mass1099.41
IUPAC Name3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cnc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8cc(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)cc(-c9ccccn9)n8)n7)ccc65)cc4)nc3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C77H49N9/c1-4-22-73-62(14-1)63-15-2-5-23-74(63)85(73)60-34-29-51(30-35-60)50-25-27-52(28-26-50)56-46-71(69-19-9-12-41-80-69)84-72(47-56)70-21-13-20-68(83-70)54-33-38-76-65(45-54)64-16-3-6-24-75(64)86(76)61-36-31-53(32-37-61)77-81-48-59(49-82-77)55-42-57(66-17-7-10-39-78-66)44-58(43-55)67-18-8-11-40-79-67/h1-49H
InChIKeyAYALSETXRYVRNU-UHFFFAOYSA-N
XLogP18.65
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.30
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

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3-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-indol-3-yl]-piperidin-1-yl}-propionitrile
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CID 72194538
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6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-phenylphenyl)-9H-pyrido[2,3-b]indole
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CID 72195474
4-(4-benzylpiperazin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole (CID 126547990) is 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole is c1ccc(-c2cc(-c3cnc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8cc(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)cc(-c9ccccn9)n8)n7)ccc65)cc4)nc3)cc(-c3ccccn3)c2)nc1.
What is the InChIKey of 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole?
The InChIKey is AYALSETXRYVRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H49N9/c1-4-22-73-62(14-1)63-15-2-5-23-74(63)85(73)60-34-29-51(30-35-60)50-25-27-52(28-26-50)56-46-71(69-19-9-12-41-80-69)84-72(47-56)70-21-13-20-68(83-70)54-33-38-76-65(45-54)64-16-3-6-24-75(64)86(76)61-36-31-53(32-37-61)77-81-48-59(49-82-77)55-42-57(66-17-7-10-39-78-66)44-58(43-55)67-18-8-11-40-79-67/h1-49H.
What are the key properties of 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole?
3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole has a molecular weight of 1100.30 g/mol, XLogP of 18.65, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-9-[4-[5-(3,5-dipyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 126547990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).