5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole

C138H88N12 — CID 159023598

IUPAC5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4cc(-n5c6ccccc6c6c7ccccc7n(-c7ccccc7)c65)cc(-n5c6ccccc6c6c7ccccc7n(-c7ccccc7)c65)c4)c32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc(-c5cc(-n6c7ccccc7c7c8ccccc8n(-c8ccccc8)c76)cc(-n6c7ccccc7c7c8ccccc8n(-c8ccccc8)c76)c5)cc4)c32)cc1
InChIInChI=1S/C72H46N6.C66H42N6/c1-4-22-49(23-5-1)73-61-34-16-10-28-55(61)67-58-31-13-19-37-64(58)76(70(67)73)52-42-40-47(41-43-52)48-44-53(77-65-38-20-14-32-59(65)68-56-29-11-17-35-62(56)74(71(68)77)50-24-6-2-7-25-50)46-54(45-48)78-66-39-21-15-33-60(66)69-57-30-12-18-36-63(57)75(72(69)78)51-26-8-3-9-27-51;1-4-22-43(23-5-1)67-55-34-16-10-28-49(55)61-52-31-13-19-37-58(52)70(64(61)67)46-40-47(71-59-38-20-14-32-53(59)62-50-29-11-17-35-56(50)68(65(62)71)44-24-6-2-7-25-44)42-48(41-46)72-60-39-21-15-33-54(60)63-51-30-12-18-36-57(51)69(66(63)72)45-26-8-3-9-27-45/h1-46H;1-42H
InChIKeyJTZXQAWVXUUDKE-UHFFFAOYSA-N
MW1914.31 g/mol
LogP35.29
Rot. Bonds13

About 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole

5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole (PubChem CID 159023598) has the molecular formula C138H88N12 and a molecular weight of 1914.31 g/mol. Its IUPAC name is 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole.

Molecular Properties

Compound Name5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole
PubChem CID159023598
Molecular FormulaC138H88N12
Molecular Weight1914.31 g/mol
Exact Mass1912.73
IUPAC Name5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4cc(-n5c6ccccc6c6c7ccccc7n(-c7ccccc7)c65)cc(-n5c6ccccc6c6c7ccccc7n(-c7ccccc7)c65)c4)c32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc(-c5cc(-n6c7ccccc7c7c8ccccc8n(-c8ccccc8)c76)cc(-n6c7ccccc7c7c8ccccc8n(-c8ccccc8)c76)c5)cc4)c32)cc1
InChIInChI=1S/C72H46N6.C66H42N6/c1-4-22-49(23-5-1)73-61-34-16-10-28-55(61)67-58-31-13-19-37-64(58)76(70(67)73)52-42-40-47(41-43-52)48-44-53(77-65-38-20-14-32-59(65)68-56-29-11-17-35-62(56)74(71(68)77)50-24-6-2-7-25-50)46-54(45-48)78-66-39-21-15-33-60(66)69-57-30-12-18-36-63(57)75(72(69)78)51-26-8-3-9-27-51;1-4-22-43(23-5-1)67-55-34-16-10-28-49(55)61-52-31-13-19-37-58(52)70(64(61)67)46-40-47(71-59-38-20-14-32-53(59)62-50-29-11-17-35-56(50)68(65(62)71)44-24-6-2-7-25-44)42-48(41-46)72-60-39-21-15-33-54(60)63-51-30-12-18-36-57(51)69(66(63)72)45-26-8-3-9-27-45/h1-46H;1-42H
InChIKeyJTZXQAWVXUUDKE-UHFFFAOYSA-N
XLogP35.29
TPSA59.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001914.31
LogP ≤ 535.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole with MolForge

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Related Compounds

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CID 162231866

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole?
The IUPAC name of 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole (CID 159023598) is 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole.
What is the SMILES notation for 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole?
The canonical SMILES for 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4cc(-n5c6ccccc6c6c7ccccc7n(-c7ccccc7)c65)cc(-n5c6ccccc6c6c7ccccc7n(-c7ccccc7)c65)c4)c32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc(-c5cc(-n6c7ccccc7c7c8ccccc8n(-c8ccccc8)c76)cc(-n6c7ccccc7c7c8ccccc8n(-c8ccccc8)c76)c5)cc4)c32)cc1.
What is the InChIKey of 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole?
The InChIKey is JTZXQAWVXUUDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N6.C66H42N6/c1-4-22-49(23-5-1)73-61-34-16-10-28-55(61)67-58-31-13-19-37-64(58)76(70(67)73)52-42-40-47(41-43-52)48-44-53(77-65-38-20-14-32-59(65)68-56-29-11-17-35-62(56)74(71(68)77)50-24-6-2-7-25-50)46-54(45-48)78-66-39-21-15-33-60(66)69-57-30-12-18-36-63(57)75(72(69)78)51-26-8-3-9-27-51;1-4-22-43(23-5-1)67-55-34-16-10-28-49(55)61-52-31-13-19-37-58(52)70(64(61)67)46-40-47(71-59-38-20-14-32-53(59)62-50-29-11-17-35-56(50)68(65(62)71)44-24-6-2-7-25-44)42-48(41-46)72-60-39-21-15-33-54(60)63-51-30-12-18-36-57(51)69(66(63)72)45-26-8-3-9-27-45/h1-46H;1-42H.
What are the key properties of 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole?
5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole has a molecular weight of 1914.31 g/mol, XLogP of 35.29, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole is sourced from PubChem (CID 159023598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).