5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole

C78H48N6 — CID 58038406

IUPAC5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c56)c4)c23)c1
InChIInChI=1S/C78H48N6/c1-9-34-65-55(26-1)56-27-2-10-35-66(56)79(65)49-20-17-22-51(46-49)81-71-40-15-7-32-63(71)75-73(81)44-42-62-60-31-6-14-39-70(60)84(78(62)75)54-25-19-23-52(48-54)82-72-41-16-8-33-64(72)76-74(82)45-43-61-59-30-5-13-38-69(59)83(77(61)76)53-24-18-21-50(47-53)80-67-36-11-3-28-57(67)58-29-4-12-37-68(58)80/h1-48H
InChIKeyVTLXCCZESIEEJS-UHFFFAOYSA-N
MW1069.28 g/mol
LogP20.27
Rot. Bonds6

About 5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole

5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 58038406) has the molecular formula C78H48N6 and a molecular weight of 1069.28 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID58038406
Molecular FormulaC78H48N6
Molecular Weight1069.28 g/mol
Exact Mass1068.39
IUPAC Name5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c56)c4)c23)c1
InChIInChI=1S/C78H48N6/c1-9-34-65-55(26-1)56-27-2-10-35-66(56)79(65)49-20-17-22-51(46-49)81-71-40-15-7-32-63(71)75-73(81)44-42-62-60-31-6-14-39-70(60)84(78(62)75)54-25-19-23-52(48-54)82-72-41-16-8-33-64(72)76-74(82)45-43-61-59-30-5-13-38-69(59)83(77(61)76)53-24-18-21-50(47-53)80-67-36-11-3-28-57(67)58-29-4-12-37-68(58)80/h1-48H
InChIKeyVTLXCCZESIEEJS-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-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole (CID 58038406) is 5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c56)c4)c23)c1.
What is the InChIKey of 5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is VTLXCCZESIEEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N6/c1-9-34-65-55(26-1)56-27-2-10-35-66(56)79(65)49-20-17-22-51(46-49)81-71-40-15-7-32-63(71)75-73(81)44-42-62-60-31-6-14-39-70(60)84(78(62)75)54-25-19-23-52(48-54)82-72-41-16-8-33-64(72)76-74(82)45-43-61-59-30-5-13-38-69(59)83(77(61)76)53-24-18-21-50(47-53)80-67-36-11-3-28-57(67)58-29-4-12-37-68(58)80/h1-48H.
What are the key properties of 5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole?
5-(3-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[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-carbazol-9-ylphenyl)-12-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 58038406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).