3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one

C45H30N2OTe — CID 165377158

IUPAC3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3cccc(-c4ccc5c(=O)c6ccc(-n7c8ccccc8c8ccccc87)cc6[te]c5c4)c3)c12
InChIInChI=1S/C45H30N2OTe/c1-27-10-7-16-35-36-17-8-11-28(2)44(36)47(43(27)35)31-13-9-12-29(24-31)30-20-22-37-41(25-30)49-42-26-32(21-23-38(42)45(37)48)46-39-18-5-3-14-33(39)34-15-4-6-19-40(34)46/h3-26H,1-2H3
InChIKeyNKUVMTZURUKHQO-UHFFFAOYSA-N
MW742.35 g/mol
LogP10.89
Rot. Bonds3

About 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one

3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one (PubChem CID 165377158) has the molecular formula C45H30N2OTe and a molecular weight of 742.35 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one.

Molecular Properties

Compound Name3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one
PubChem CID165377158
Molecular FormulaC45H30N2OTe
Molecular Weight742.35 g/mol
Exact Mass744.14
IUPAC Name3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3cccc(-c4ccc5c(=O)c6ccc(-n7c8ccccc8c8ccccc87)cc6[te]c5c4)c3)c12
InChIInChI=1S/C45H30N2OTe/c1-27-10-7-16-35-36-17-8-11-28(2)44(36)47(43(27)35)31-13-9-12-29(24-31)30-20-22-37-41(25-30)49-42-26-32(21-23-38(42)45(37)48)46-39-18-5-3-14-33(39)34-15-4-6-19-40(34)46/h3-26H,1-2H3
InChIKeyNKUVMTZURUKHQO-UHFFFAOYSA-N
XLogP10.89
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.35
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one
CID 165377143
3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377193
(Z)-but-2-ene;ethane;1-methyl-9-(3-phenylphenyl)carbazole
CID 144884443
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one?
The IUPAC name of 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one (CID 165377158) is 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one.
What is the SMILES notation for 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one?
The canonical SMILES for 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one is Cc1cccc2c3cccc(C)c3n(-c3cccc(-c4ccc5c(=O)c6ccc(-n7c8ccccc8c8ccccc87)cc6[te]c5c4)c3)c12.
What is the InChIKey of 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one?
The InChIKey is NKUVMTZURUKHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2OTe/c1-27-10-7-16-35-36-17-8-11-28(2)44(36)47(43(27)35)31-13-9-12-29(24-31)30-20-22-37-41(25-30)49-42-26-32(21-23-38(42)45(37)48)46-39-18-5-3-14-33(39)34-15-4-6-19-40(34)46/h3-26H,1-2H3.
What are the key properties of 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one?
3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one has a molecular weight of 742.35 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one is sourced from PubChem (CID 165377158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).