3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole

C62H40N4 — CID 90129291

IUPAC3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7c6)ccc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C62H40N4/c1-4-17-41(18-5-1)44-23-16-24-47(35-44)61-54-27-10-13-28-56(54)63-62(64-61)66-58-30-15-12-26-52(58)55-39-45(32-34-59(55)66)46-31-33-53-51-25-11-14-29-57(51)65(60(53)40-46)50-37-48(42-19-6-2-7-20-42)36-49(38-50)43-21-8-3-9-22-43/h1-40H
InChIKeyHIHOTFWVSNUZPY-UHFFFAOYSA-N
MW841.03 g/mol
LogP16.16
Rot. Bonds7

About 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole

3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole (PubChem CID 90129291) has the molecular formula C62H40N4 and a molecular weight of 841.03 g/mol. Its IUPAC name is 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
PubChem CID90129291
Molecular FormulaC62H40N4
Molecular Weight841.03 g/mol
Exact Mass840.33
IUPAC Name3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7c6)ccc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C62H40N4/c1-4-17-41(18-5-1)44-23-16-24-47(35-44)61-54-27-10-13-28-56(54)63-62(64-61)66-58-30-15-12-26-52(58)55-39-45(32-34-59(55)66)46-31-33-53-51-25-11-14-29-57(51)65(60(53)40-46)50-37-48(42-19-6-2-7-20-42)36-49(38-50)43-21-8-3-9-22-43/h1-40H
InChIKeyHIHOTFWVSNUZPY-UHFFFAOYSA-N
XLogP16.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.03
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane
CID 123834710
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236829
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236514
9-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236954
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole
CID 90129224

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole?
The IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole (CID 90129291) is 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole.
What is the SMILES notation for 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole?
The canonical SMILES for 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole is c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7c6)ccc54)nc4ccccc34)c2)cc1.
What is the InChIKey of 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole?
The InChIKey is HIHOTFWVSNUZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4/c1-4-17-41(18-5-1)44-23-16-24-47(35-44)61-54-27-10-13-28-56(54)63-62(64-61)66-58-30-15-12-26-52(58)55-39-45(32-34-59(55)66)46-31-33-53-51-25-11-14-29-57(51)65(60(53)40-46)50-37-48(42-19-6-2-7-20-42)36-49(38-50)43-21-8-3-9-22-43/h1-40H.
What are the key properties of 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole?
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole has a molecular weight of 841.03 g/mol, XLogP of 16.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole is sourced from PubChem (CID 90129291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).