5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole

C78H48N6 — CID 88917489

IUPAC5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)c2)c1
InChIInChI=1S/C78H48N6/c1-9-34-66-55(26-1)56-27-2-10-35-67(56)79(66)49-20-17-23-52(44-49)82-70-38-13-6-31-60(70)64-48-76-65(47-75(64)82)61-32-7-14-39-71(61)83(76)53-24-18-22-51(45-53)81-73-41-16-8-33-63(73)77-74(81)43-42-62-59-30-5-15-40-72(59)84(78(62)77)54-25-19-21-50(46-54)80-68-36-11-3-28-57(68)58-29-4-12-37-69(58)80/h1-48H
InChIKeySSQWYNAFFXVRBE-UHFFFAOYSA-N
MW1069.28 g/mol
LogP20.27
Rot. Bonds6

About 5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole

5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole (PubChem CID 88917489) has the molecular formula C78H48N6 and a molecular weight of 1069.28 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
PubChem CID88917489
Molecular FormulaC78H48N6
Molecular Weight1069.28 g/mol
Exact Mass1068.39
IUPAC Name5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)c2)c1
InChIInChI=1S/C78H48N6/c1-9-34-66-55(26-1)56-27-2-10-35-67(56)79(66)49-20-17-23-52(44-49)82-70-38-13-6-31-60(70)64-48-76-65(47-75(64)82)61-32-7-14-39-71(61)83(76)53-24-18-22-51(45-53)81-73-41-16-8-33-63(73)77-74(81)43-42-62-59-30-5-15-40-72(59)84(78(62)77)54-25-19-21-50(46-54)80-68-36-11-3-28-57(68)58-29-4-12-37-69(58)80/h1-48H
InChIKeySSQWYNAFFXVRBE-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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Related Compounds

5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 142290041
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole (CID 88917489) is 5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)c2)c1.
What is the InChIKey of 5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole?
The InChIKey is SSQWYNAFFXVRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N6/c1-9-34-66-55(26-1)56-27-2-10-35-67(56)79(66)49-20-17-23-52(44-49)82-70-38-13-6-31-60(70)64-48-76-65(47-75(64)82)61-32-7-14-39-71(61)83(76)53-24-18-22-51(45-53)81-73-41-16-8-33-63(73)77-74(81)43-42-62-59-30-5-15-40-72(59)84(78(62)77)54-25-19-21-50(46-54)80-68-36-11-3-28-57(68)58-29-4-12-37-69(58)80/h1-48H.
What are the key properties of 5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole?
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]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)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 88917489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).