6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole

C50H44N2 — CID 171053131

IUPAC6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole
SMILESCC(C)(C)c1ccc(-c2c3c4ccccc4n(-c4ccccc4)c3c(-c3ccc(C(C)(C)C)cc3)c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C50H44N2/c1-49(2,3)35-29-25-33(26-30-35)43-45-39-21-13-15-23-41(39)51(37-17-9-7-10-18-37)47(45)44(34-27-31-36(32-28-34)50(4,5)6)48-46(43)40-22-14-16-24-42(40)52(48)38-19-11-8-12-20-38/h7-32H,1-6H3
InChIKeyDZJVBBCQUUCXQY-UHFFFAOYSA-N
MW672.92 g/mol
LogP13.81
Rot. Bonds4

About 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole

6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole (PubChem CID 171053131) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole
PubChem CID171053131
Molecular FormulaC50H44N2
Molecular Weight672.92 g/mol
Exact Mass672.35
IUPAC Name6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole
SMILESCC(C)(C)c1ccc(-c2c3c4ccccc4n(-c4ccccc4)c3c(-c3ccc(C(C)(C)C)cc3)c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C50H44N2/c1-49(2,3)35-29-25-33(26-30-35)43-45-39-21-13-15-23-41(39)51(37-17-9-7-10-18-37)47(45)44(34-27-31-36(32-28-34)50(4,5)6)48-46(43)40-22-14-16-24-42(40)52(48)38-19-11-8-12-20-38/h7-32H,1-6H3
InChIKeyDZJVBBCQUUCXQY-UHFFFAOYSA-N
XLogP13.81
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.92
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-tert-butylphenyl)-7-phenylbenzo[c]carbazole
CID 70836954
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
1,4-ditert-butyl-9-phenylcarbazole
CID 169010323
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
5-(4-tert-butylphenyl)-4,6-di(carbazol-9-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 146562377
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 167259633
9-[2-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824399
17,29-bis(4-tert-butylphenyl)-3-phenyl-3,23-diazanonacyclo[21.10.1.02,10.04,9.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1,4,6,8,10,12(34),13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene
CID 176726621
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole?
The IUPAC name of 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole (CID 171053131) is 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole.
What is the SMILES notation for 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole?
The canonical SMILES for 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole is CC(C)(C)c1ccc(-c2c3c4ccccc4n(-c4ccccc4)c3c(-c3ccc(C(C)(C)C)cc3)c3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole?
The InChIKey is DZJVBBCQUUCXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-49(2,3)35-29-25-33(26-30-35)43-45-39-21-13-15-23-41(39)51(37-17-9-7-10-18-37)47(45)44(34-27-31-36(32-28-34)50(4,5)6)48-46(43)40-22-14-16-24-42(40)52(48)38-19-11-8-12-20-38/h7-32H,1-6H3.
What are the key properties of 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole?
6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole has a molecular weight of 672.92 g/mol, XLogP of 13.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 171053131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).