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

C78H50N4 — CID 58028830

IUPAC5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10ccc%11c(c%12ccccc%12n%11-c%11ccccc%11)c%109)c8)c7)c6)c5)c4)c23)cc1
InChIInChI=1S/C78H50N4/c1-3-28-59(29-4-1)79-71-40-13-9-36-67(71)75-73(79)44-42-65-63-34-7-11-38-69(63)81(77(65)75)61-32-18-26-57(49-61)55-24-16-22-53(47-55)51-20-15-21-52(46-51)54-23-17-25-56(48-54)58-27-19-33-62(50-58)82-70-39-12-8-35-64(70)66-43-45-74-76(78(66)82)68-37-10-14-41-72(68)80(74)60-30-5-2-6-31-60/h1-50H
InChIKeyRXJCUPKIDOADPB-UHFFFAOYSA-N
MW1043.29 g/mol
LogP20.74
Rot. Bonds8

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

5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole (PubChem CID 58028830) has the molecular formula C78H50N4 and a molecular weight of 1043.29 g/mol. Its IUPAC name is 5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
PubChem CID58028830
Molecular FormulaC78H50N4
Molecular Weight1043.29 g/mol
Exact Mass1042.40
IUPAC Name5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10ccc%11c(c%12ccccc%12n%11-c%11ccccc%11)c%109)c8)c7)c6)c5)c4)c23)cc1
InChIInChI=1S/C78H50N4/c1-3-28-59(29-4-1)79-71-40-13-9-36-67(71)75-73(79)44-42-65-63-34-7-11-38-69(63)81(77(65)75)61-32-18-26-57(49-61)55-24-16-22-53(47-55)51-20-15-21-52(46-51)54-23-17-25-56(48-54)58-27-19-33-62(50-58)82-70-39-12-8-35-64(70)66-43-45-74-76(78(66)82)68-37-10-14-41-72(68)80(74)60-30-5-2-6-31-60/h1-50H
InChIKeyRXJCUPKIDOADPB-UHFFFAOYSA-N
XLogP20.74
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.29
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole (CID 58028830) is 5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10ccc%11c(c%12ccccc%12n%11-c%11ccccc%11)c%109)c8)c7)c6)c5)c4)c23)cc1.
What is the InChIKey of 5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is RXJCUPKIDOADPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N4/c1-3-28-59(29-4-1)79-71-40-13-9-36-67(71)75-73(79)44-42-65-63-34-7-11-38-69(63)81(77(65)75)61-32-18-26-57(49-61)55-24-16-22-53(47-55)51-20-15-21-52(46-51)54-23-17-25-56(48-54)58-27-19-33-62(50-58)82-70-39-12-8-35-64(70)66-43-45-74-76(78(66)82)68-37-10-14-41-72(68)80(74)60-30-5-2-6-31-60/h1-50H.
What are the key properties of 5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 1043.29 g/mol, XLogP of 20.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[3-[3-[3-[3-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]phenyl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 58028830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).