9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole

C34H30IN — CID 155332348

IUPAC9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole
SMILESIc1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C34H30IN/c35-28-13-9-24(10-14-28)34(26-18-22-17-23(20-26)21-27(34)19-22)25-11-15-29(16-12-25)36-32-7-3-1-5-30(32)31-6-2-4-8-33(31)36/h1-16,22-23,26-27H,17-21H2
InChIKeyWHPVMKHIDKMMPC-UHFFFAOYSA-N
MW579.53 g/mol
LogP9.13
Rot. Bonds3

About 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole

9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole (PubChem CID 155332348) has the molecular formula C34H30IN and a molecular weight of 579.53 g/mol. Its IUPAC name is 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole
PubChem CID155332348
Molecular FormulaC34H30IN
Molecular Weight579.53 g/mol
Exact Mass579.14
IUPAC Name9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole
SMILESIc1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C34H30IN/c35-28-13-9-24(10-14-28)34(26-18-22-17-23(20-26)21-27(34)19-22)25-11-15-29(16-12-25)36-32-7-3-1-5-30(32)31-6-2-4-8-33(31)36/h1-16,22-23,26-27H,17-21H2
InChIKeyWHPVMKHIDKMMPC-UHFFFAOYSA-N
XLogP9.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.53
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
CID 118965630
9-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-adamantyl]phenyl]carbazole
CID 155332262
[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane
CID 155642855
9-[2-[2-(5-carbazol-9-ylpyrimidin-2-yl)-2-adamantyl]pyrimidin-5-yl]carbazole
CID 155332350
3-(2-bromo-2-adamantyl)-9-phenylcarbazole
CID 155642852
9-[4-[9-(4-iodophenyl)fluoren-9-yl]phenyl]carbazole
CID 67326563
3-iodo-9-(4-iodophenyl)carbazole
CID 139783630
9-(2-carbazol-9-ylcyclobutyl)carbazole;9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]phenyl]carbazole;9-[3-[2-[2-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 165038792
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
9-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole;9-[4-[4-[3-[4-(4-carbazol-9-ylphenyl)phenyl]-1-adamantyl]phenyl]phenyl]carbazole
CID 157166578
9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole
CID 156578319
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole (CID 155332348) is 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole is Ic1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole?
The InChIKey is WHPVMKHIDKMMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30IN/c35-28-13-9-24(10-14-28)34(26-18-22-17-23(20-26)21-27(34)19-22)25-11-15-29(16-12-25)36-32-7-3-1-5-30(32)31-6-2-4-8-33(31)36/h1-16,22-23,26-27H,17-21H2.
What are the key properties of 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole?
9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole has a molecular weight of 579.53 g/mol, XLogP of 9.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole is sourced from PubChem (CID 155332348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).