2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole

C70H70N2 — CID 130303941

IUPAC2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole
SMILESCC(C)(C)c1cc(/C=C/c2ccc(-c3ccc4c(c3)n(-c3ccccc3)c3c5ccc(-c6ccc(/C=C/c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc6)cc5n(-c5ccccc5)c43)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C70H70N2/c1-67(2,3)55-39-49(40-56(45-55)68(4,5)6)25-23-47-27-31-51(32-28-47)53-35-37-61-63(43-53)71(59-19-15-13-16-20-59)66-62-38-36-54(44-64(62)72(65(61)66)60-21-17-14-18-22-60)52-33-29-48(30-34-52)24-26-50-41-57(69(7,8)9)46-58(42-50)70(10,11)12/h13-46H,1-12H3/b25-23+,26-24+
InChIKeyVEXKLPAILMFKAA-OGGGYYITSA-N
MW939.34 g/mol
LogP19.59
Rot. Bonds8

About 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole

2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole (PubChem CID 130303941) has the molecular formula C70H70N2 and a molecular weight of 939.34 g/mol. Its IUPAC name is 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole.

Molecular Properties

Compound Name2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole
PubChem CID130303941
Molecular FormulaC70H70N2
Molecular Weight939.34 g/mol
Exact Mass938.55
IUPAC Name2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole
SMILESCC(C)(C)c1cc(/C=C/c2ccc(-c3ccc4c(c3)n(-c3ccccc3)c3c5ccc(-c6ccc(/C=C/c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc6)cc5n(-c5ccccc5)c43)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C70H70N2/c1-67(2,3)55-39-49(40-56(45-55)68(4,5)6)25-23-47-27-31-51(32-28-47)53-35-37-61-63(43-53)71(59-19-15-13-16-20-59)66-62-38-36-54(44-64(62)72(65(61)66)60-21-17-14-18-22-60)52-33-29-48(30-34-52)24-26-50-41-57(69(7,8)9)46-58(42-50)70(10,11)12/h13-46H,1-12H3/b25-23+,26-24+
InChIKeyVEXKLPAILMFKAA-OGGGYYITSA-N
XLogP19.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.34
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane
CID 158740081
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
CID 4625492
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole?
The IUPAC name of 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole (CID 130303941) is 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole.
What is the SMILES notation for 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole?
The canonical SMILES for 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole is CC(C)(C)c1cc(/C=C/c2ccc(-c3ccc4c(c3)n(-c3ccccc3)c3c5ccc(-c6ccc(/C=C/c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc6)cc5n(-c5ccccc5)c43)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole?
The InChIKey is VEXKLPAILMFKAA-OGGGYYITSA-N. The full InChI is InChI=1S/C70H70N2/c1-67(2,3)55-39-49(40-56(45-55)68(4,5)6)25-23-47-27-31-51(32-28-47)53-35-37-61-63(43-53)71(59-19-15-13-16-20-59)66-62-38-36-54(44-64(62)72(65(61)66)60-21-17-14-18-22-60)52-33-29-48(30-34-52)24-26-50-41-57(69(7,8)9)46-58(42-50)70(10,11)12/h13-46H,1-12H3/b25-23+,26-24+.
What are the key properties of 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole?
2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole has a molecular weight of 939.34 g/mol, XLogP of 19.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole is sourced from PubChem (CID 130303941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).