9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole

C64H42N4 — CID 58121747

IUPAC9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole
SMILESc1cncc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7cccnc7)ccc6-n6c7ccccc7c7ccccc76)c5)c4)c3)c2)c1
InChIInChI=1S/C64H42N4/c1-5-26-59-53(22-1)54-23-2-6-27-60(54)67(59)63-32-30-47(51-20-12-34-65-41-51)39-57(63)49-18-10-16-45(37-49)43-14-9-15-44(36-43)46-17-11-19-50(38-46)58-40-48(52-21-13-35-66-42-52)31-33-64(58)68-61-28-7-3-24-55(61)56-25-4-8-29-62(56)68/h1-42H
InChIKeyPXBTWHXCMLLEAV-UHFFFAOYSA-N
MW867.07 g/mol
LogP16.67
Rot. Bonds8

About 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole

9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole (PubChem CID 58121747) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole
PubChem CID58121747
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole
SMILESc1cncc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7cccnc7)ccc6-n6c7ccccc7c7ccccc76)c5)c4)c3)c2)c1
InChIInChI=1S/C64H42N4/c1-5-26-59-53(22-1)54-23-2-6-27-60(54)67(59)63-32-30-47(51-20-12-34-65-41-51)39-57(63)49-18-10-16-45(37-49)43-14-9-15-44(36-43)46-17-11-19-50(38-46)58-40-48(52-21-13-35-66-42-52)31-33-64(58)68-61-28-7-3-24-55(61)56-25-4-8-29-62(56)68/h1-42H
InChIKeyPXBTWHXCMLLEAV-UHFFFAOYSA-N
XLogP16.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole?
The IUPAC name of 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole (CID 58121747) is 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole.
What is the SMILES notation for 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole?
The canonical SMILES for 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole is c1cncc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7cccnc7)ccc6-n6c7ccccc7c7ccccc76)c5)c4)c3)c2)c1.
What is the InChIKey of 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole?
The InChIKey is PXBTWHXCMLLEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-5-26-59-53(22-1)54-23-2-6-27-60(54)67(59)63-32-30-47(51-20-12-34-65-41-51)39-57(63)49-18-10-16-45(37-49)43-14-9-15-44(36-43)46-17-11-19-50(38-46)58-40-48(52-21-13-35-66-42-52)31-33-64(58)68-61-28-7-3-24-55(61)56-25-4-8-29-62(56)68/h1-42H.
What are the key properties of 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole?
9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[3-[3-(2-carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole is sourced from PubChem (CID 58121747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).