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

C66H41N5 — CID 88917500

IUPAC5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c23)cc1
InChIInChI=1S/C66H41N5/c1-2-18-42(19-3-1)67-61-35-15-9-29-53(61)65-62(67)37-36-52-49-26-6-14-34-60(49)71(66(52)65)46-23-17-22-45(39-46)70-59-33-13-8-28-51(59)55-40-63-54(41-64(55)70)50-27-7-12-32-58(50)69(63)44-21-16-20-43(38-44)68-56-30-10-4-24-47(56)48-25-5-11-31-57(48)68/h1-41H
InChIKeyDSXSSQIVJXTYDD-UHFFFAOYSA-N
MW904.09 g/mol
LogP17.17
Rot. Bonds5

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

5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole (PubChem CID 88917500) has the molecular formula C66H41N5 and a molecular weight of 904.09 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
PubChem CID88917500
Molecular FormulaC66H41N5
Molecular Weight904.09 g/mol
Exact Mass903.34
IUPAC Name5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c23)cc1
InChIInChI=1S/C66H41N5/c1-2-18-42(19-3-1)67-61-35-15-9-29-53(61)65-62(67)37-36-52-49-26-6-14-34-60(49)71(66(52)65)46-23-17-22-45(39-46)70-59-33-13-8-28-51(59)55-40-63-54(41-64(55)70)50-27-7-12-32-58(50)69(63)44-21-16-20-43(38-44)68-56-30-10-4-24-47(56)48-25-5-11-31-57(48)68/h1-41H
InChIKeyDSXSSQIVJXTYDD-UHFFFAOYSA-N
XLogP17.17
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.09
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
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
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
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
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
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
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
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
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole (CID 88917500) is 5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c23)cc1.
What is the InChIKey of 5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is DSXSSQIVJXTYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N5/c1-2-18-42(19-3-1)67-61-35-15-9-29-53(61)65-62(67)37-36-52-49-26-6-14-34-60(49)71(66(52)65)46-23-17-22-45(39-46)70-59-33-13-8-28-51(59)55-40-63-54(41-64(55)70)50-27-7-12-32-58(50)69(63)44-21-16-20-43(38-44)68-56-30-10-4-24-47(56)48-25-5-11-31-57(48)68/h1-41H.
What are the key properties of 5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole?
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 904.09 g/mol, XLogP of 17.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 88917500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).