5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole

C38H34I2N2 — CID 71140489

IUPAC5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole
SMILESCC(C)(C)c1ccc(-n2c3cc(I)ccc3c3cc4c(cc32)c2ccc(I)cc2n4-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C38H34I2N2/c1-37(2,3)23-7-13-27(14-8-23)41-33-19-25(39)11-17-29(33)31-22-36-32(21-35(31)41)30-18-12-26(40)20-34(30)42(36)28-15-9-24(10-16-28)38(4,5)6/h7-22H,1-6H3
InChIKeyQLQURXMYJZICIA-UHFFFAOYSA-N
MW772.51 g/mol
LogP11.69
Rot. Bonds2

About 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole

5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole (PubChem CID 71140489) has the molecular formula C38H34I2N2 and a molecular weight of 772.51 g/mol. Its IUPAC name is 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole
PubChem CID71140489
Molecular FormulaC38H34I2N2
Molecular Weight772.51 g/mol
Exact Mass772.08
IUPAC Name5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole
SMILESCC(C)(C)c1ccc(-n2c3cc(I)ccc3c3cc4c(cc32)c2ccc(I)cc2n4-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C38H34I2N2/c1-37(2,3)23-7-13-27(14-8-23)41-33-19-25(39)11-17-29(33)31-22-36-32(21-35(31)41)30-18-12-26(40)20-34(30)42(36)28-15-9-24(10-16-28)38(4,5)6/h7-22H,1-6H3
InChIKeyQLQURXMYJZICIA-UHFFFAOYSA-N
XLogP11.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.51
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
CID 176617143
3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-iodophenyl]carbazole
CID 167114372
3-iodo-9-(4-iodophenyl)carbazole
CID 139783630
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 168823353
2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole
CID 170187898
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
CID 172632708

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole?
The IUPAC name of 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole (CID 71140489) is 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole is CC(C)(C)c1ccc(-n2c3cc(I)ccc3c3cc4c(cc32)c2ccc(I)cc2n4-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole?
The InChIKey is QLQURXMYJZICIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34I2N2/c1-37(2,3)23-7-13-27(14-8-23)41-33-19-25(39)11-17-29(33)31-22-36-32(21-35(31)41)30-18-12-26(40)20-34(30)42(36)28-15-9-24(10-16-28)38(4,5)6/h7-22H,1-6H3.
What are the key properties of 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole?
5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole has a molecular weight of 772.51 g/mol, XLogP of 11.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole is sourced from PubChem (CID 71140489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).