5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

C78H48N6 — CID 58038397

IUPAC5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c32)cc1
InChIInChI=1S/C78H48N6/c1-4-22-49(23-5-1)82-64-34-16-10-28-55(64)58-40-43-70-73(76(58)82)61-31-13-19-37-67(61)79(70)52-46-53(80-68-38-20-14-32-62(68)74-71(80)44-41-59-56-29-11-17-35-65(56)83(77(59)74)50-24-6-2-7-25-50)48-54(47-52)81-69-39-21-15-33-63(69)75-72(81)45-42-60-57-30-12-18-36-66(57)84(78(60)75)51-26-8-3-9-27-51/h1-48H
InChIKeyCLAODTMXNMRHAQ-UHFFFAOYSA-N
MW1069.28 g/mol
LogP20.27
Rot. Bonds6

About 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 58038397) has the molecular formula C78H48N6 and a molecular weight of 1069.28 g/mol. Its IUPAC name is 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID58038397
Molecular FormulaC78H48N6
Molecular Weight1069.28 g/mol
Exact Mass1068.39
IUPAC Name5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c32)cc1
InChIInChI=1S/C78H48N6/c1-4-22-49(23-5-1)82-64-34-16-10-28-55(64)58-40-43-70-73(76(58)82)61-31-13-19-37-67(61)79(70)52-46-53(80-68-38-20-14-32-62(68)74-71(80)44-41-59-56-29-11-17-35-65(56)83(77(59)74)50-24-6-2-7-25-50)48-54(47-52)81-69-39-21-15-33-63(69)75-72(81)45-42-60-57-30-12-18-36-66(57)84(78(60)75)51-26-8-3-9-27-51/h1-48H
InChIKeyCLAODTMXNMRHAQ-UHFFFAOYSA-N
XLogP20.27
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.28
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (CID 58038397) is 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c32)cc1.
What is the InChIKey of 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is CLAODTMXNMRHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N6/c1-4-22-49(23-5-1)82-64-34-16-10-28-55(64)58-40-43-70-73(76(58)82)61-31-13-19-37-67(61)79(70)52-46-53(80-68-38-20-14-32-62(68)74-71(80)44-41-59-56-29-11-17-35-65(56)83(77(59)74)50-24-6-2-7-25-50)48-54(47-52)81-69-39-21-15-33-63(69)75-72(81)45-42-60-57-30-12-18-36-66(57)84(78(60)75)51-26-8-3-9-27-51/h1-48H.
What are the key properties of 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 1069.28 g/mol, XLogP of 20.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 58038397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).