9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole

C48H40IN — CID 170072056

IUPAC9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole
SMILESCC(C)(c1ccccc1)c1ccc2c(c1)c1cc(C(C)(C)c3ccccc3)ccc1n2-c1cc(-c2ccccc2)c(I)c(-c2ccccc2)c1
InChIInChI=1S/C48H40IN/c1-47(2,35-21-13-7-14-22-35)37-25-27-44-42(29-37)43-30-38(48(3,4)36-23-15-8-16-24-36)26-28-45(43)50(44)39-31-40(33-17-9-5-10-18-33)46(49)41(32-39)34-19-11-6-12-20-34/h5-32H,1-4H3
InChIKeyYTDYGLNGJNIHAY-UHFFFAOYSA-N
MW757.76 g/mol
LogP13.37
Rot. Bonds7

About 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole

9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole (PubChem CID 170072056) has the molecular formula C48H40IN and a molecular weight of 757.76 g/mol. Its IUPAC name is 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole
PubChem CID170072056
Molecular FormulaC48H40IN
Molecular Weight757.76 g/mol
Exact Mass757.22
IUPAC Name9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole
SMILESCC(C)(c1ccccc1)c1ccc2c(c1)c1cc(C(C)(C)c3ccccc3)ccc1n2-c1cc(-c2ccccc2)c(I)c(-c2ccccc2)c1
InChIInChI=1S/C48H40IN/c1-47(2,35-21-13-7-14-22-35)37-25-27-44-42(29-37)43-30-38(48(3,4)36-23-15-8-16-24-36)26-28-45(43)50(44)39-31-40(33-17-9-5-10-18-33)46(49)41(32-39)34-19-11-6-12-20-34/h5-32H,1-4H3
InChIKeyYTDYGLNGJNIHAY-UHFFFAOYSA-N
XLogP13.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.76
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]carbazole
CID 140903129
3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480016
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480023
11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 170937387
4-(3,6-ditert-butylcarbazol-9-yl)-N,N,2-triphenylaniline
CID 155317932
11-(3,6-ditert-butylcarbazol-9-yl)-4-phenyl-8-(4-phenylphenyl)-18-(2-phenylpropan-2-yl)-14-[4-(2-phenylpropan-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 166562755
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]carbazole
CID 162480082
3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-iodophenyl]carbazole
CID 167114372
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole
CID 71232688
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271

Frequently Asked Questions

What is the IUPAC name of 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole?
The IUPAC name of 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole (CID 170072056) is 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole.
What is the SMILES notation for 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole?
The canonical SMILES for 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole is CC(C)(c1ccccc1)c1ccc2c(c1)c1cc(C(C)(C)c3ccccc3)ccc1n2-c1cc(-c2ccccc2)c(I)c(-c2ccccc2)c1.
What is the InChIKey of 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole?
The InChIKey is YTDYGLNGJNIHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40IN/c1-47(2,35-21-13-7-14-22-35)37-25-27-44-42(29-37)43-30-38(48(3,4)36-23-15-8-16-24-36)26-28-45(43)50(44)39-31-40(33-17-9-5-10-18-33)46(49)41(32-39)34-19-11-6-12-20-34/h5-32H,1-4H3.
What are the key properties of 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole?
9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole has a molecular weight of 757.76 g/mol, XLogP of 13.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 170072056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).