3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole

C54H33N3Se — CID 170517810

IUPAC3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c3c(c2)[se]c2ccccc23)cc1
InChIInChI=1S/C54H33N3Se/c1-2-14-34(15-3-1)35-30-51(54-42-20-8-13-25-52(42)58-53(54)31-35)57-48-24-12-7-19-41(48)44-33-37(27-29-50(44)57)56-47-23-11-6-18-40(47)43-32-36(26-28-49(43)56)55-45-21-9-4-16-38(45)39-17-5-10-22-46(39)55/h1-33H
InChIKeyHHVQANGZVZKSSK-UHFFFAOYSA-N
MW802.84 g/mol
LogP14.01
Rot. Bonds4

About 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole

3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole (PubChem CID 170517810) has the molecular formula C54H33N3Se and a molecular weight of 802.84 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole
PubChem CID170517810
Molecular FormulaC54H33N3Se
Molecular Weight802.84 g/mol
Exact Mass803.18
IUPAC Name3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c3c(c2)[se]c2ccccc23)cc1
InChIInChI=1S/C54H33N3Se/c1-2-14-34(15-3-1)35-30-51(54-42-20-8-13-25-52(42)58-53(54)31-35)57-48-24-12-7-19-41(48)44-33-37(27-29-50(44)57)56-47-23-11-6-18-40(47)43-32-36(26-28-49(43)56)55-45-21-9-4-16-38(45)39-17-5-10-22-46(39)55/h1-33H
InChIKeyHHVQANGZVZKSSK-UHFFFAOYSA-N
XLogP14.01
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.84
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170518003
3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517893
3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517830
3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole
CID 170517890
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517955
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole
CID 170386086
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole (CID 170517810) is 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c3c(c2)[se]c2ccccc23)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole?
The InChIKey is HHVQANGZVZKSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3Se/c1-2-14-34(15-3-1)35-30-51(54-42-20-8-13-25-52(42)58-53(54)31-35)57-48-24-12-7-19-41(48)44-33-37(27-29-50(44)57)56-47-23-11-6-18-40(47)43-32-36(26-28-49(43)56)55-45-21-9-4-16-38(45)39-17-5-10-22-46(39)55/h1-33H.
What are the key properties of 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole?
3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole has a molecular weight of 802.84 g/mol, XLogP of 14.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 170517810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).