1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole

C54H34N4 — CID 177094947

IUPAC1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7cccc(-n8c9ccccc9c9ccccc98)c76)cccc54)c32)cc1
InChIInChI=1S/C54H34N4/c1-2-17-35(18-3-1)55-43-26-9-6-21-38(43)40-24-14-33-50(53(40)55)57-47-30-13-8-23-42(47)52-48(57)31-16-32-49(52)58-46-29-12-7-22-39(46)41-25-15-34-51(54(41)58)56-44-27-10-4-19-36(44)37-20-5-11-28-45(37)56/h1-34H
InChIKeyRQDKYMZGRJXUJH-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.07
Rot. Bonds4

About 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole

1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole (PubChem CID 177094947) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
PubChem CID177094947
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7cccc(-n8c9ccccc9c9ccccc98)c76)cccc54)c32)cc1
InChIInChI=1S/C54H34N4/c1-2-17-35(18-3-1)55-43-26-9-6-21-38(43)40-24-14-33-50(53(40)55)57-47-30-13-8-23-42(47)52-48(57)31-16-32-49(52)58-46-29-12-7-22-39(46)41-25-15-34-51(54(41)58)56-44-27-10-4-19-36(44)37-20-5-11-28-45(37)56/h1-34H
InChIKeyRQDKYMZGRJXUJH-UHFFFAOYSA-N
XLogP14.07
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane
CID 170516398
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
CID 170515290
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
[8-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170515814
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
CID 170374759
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-(9-naphthalen-2-ylcarbazol-4-yl)-12-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 165021173

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole?
The IUPAC name of 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole (CID 177094947) is 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole.
What is the SMILES notation for 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole?
The canonical SMILES for 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole is c1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7cccc(-n8c9ccccc9c9ccccc98)c76)cccc54)c32)cc1.
What is the InChIKey of 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole?
The InChIKey is RQDKYMZGRJXUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-2-17-35(18-3-1)55-43-26-9-6-21-38(43)40-24-14-33-50(53(40)55)57-47-30-13-8-23-42(47)52-48(57)31-16-32-49(52)58-46-29-12-7-22-39(46)41-25-15-34-51(54(41)58)56-44-27-10-4-19-36(44)37-20-5-11-28-45(37)56/h1-34H.
What are the key properties of 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole?
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole has a molecular weight of 738.89 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole is sourced from PubChem (CID 177094947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).