9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole

C34H21IN4O — CID 58609369

IUPAC9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole
SMILESIc1ccc(Oc2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C34H21IN4O/c35-22-17-19-23(20-18-22)40-33-21-32(38-28-13-5-1-9-24(28)25-10-2-6-14-29(25)38)36-34(37-33)39-30-15-7-3-11-26(30)27-12-4-8-16-31(27)39/h1-21H
InChIKeyKDPCUUWIBSXSTC-UHFFFAOYSA-N
MW628.47 g/mol
LogP9.07
Rot. Bonds4

About 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole

9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole (PubChem CID 58609369) has the molecular formula C34H21IN4O and a molecular weight of 628.47 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole
PubChem CID58609369
Molecular FormulaC34H21IN4O
Molecular Weight628.47 g/mol
Exact Mass628.08
IUPAC Name9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole
SMILESIc1ccc(Oc2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C34H21IN4O/c35-22-17-19-23(20-18-22)40-33-21-32(38-28-13-5-1-9-24(28)25-10-2-6-14-29(25)38)36-34(37-33)39-30-15-7-3-11-26(30)27-12-4-8-16-31(27)39/h1-21H
InChIKeyKDPCUUWIBSXSTC-UHFFFAOYSA-N
XLogP9.07
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.47
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole
CID 70836995
9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943683
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
CID 126631519
9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943440
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 59194526
9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050331
9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 158402871
9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050077
9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole
CID 169021296
5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159211280

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole (CID 58609369) is 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole is Ic1ccc(Oc2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole?
The InChIKey is KDPCUUWIBSXSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21IN4O/c35-22-17-19-23(20-18-22)40-33-21-32(38-28-13-5-1-9-24(28)25-10-2-6-14-29(25)38)36-34(37-33)39-30-15-7-3-11-26(30)27-12-4-8-16-31(27)39/h1-21H.
What are the key properties of 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole?
9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole has a molecular weight of 628.47 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole is sourced from PubChem (CID 58609369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).