4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole

C54H34N4 — CID 134352687

IUPAC4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1
InChIInChI=1S/C54H34N4/c1-8-23-45-38(16-1)39-17-2-9-24-46(39)55(45)35-32-36(56-47-25-10-3-18-40(47)41-19-4-11-26-48(41)56)34-37(33-35)57-51-29-14-7-22-44(51)54-52(57)30-15-31-53(54)58-49-27-12-5-20-42(49)43-21-6-13-28-50(43)58/h1-34H
InChIKeyBGJPHVGFUPUFBS-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.07
Rot. Bonds4

About 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole

4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole (PubChem CID 134352687) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
PubChem CID134352687
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1
InChIInChI=1S/C54H34N4/c1-8-23-45-38(16-1)39-17-2-9-24-46(39)55(45)35-32-36(56-47-25-10-3-18-40(47)41-19-4-11-26-48(41)56)34-37(33-35)57-51-29-14-7-22-44(51)54-52(57)30-15-31-53(54)58-49-27-12-5-20-42(49)43-21-6-13-28-50(43)58/h1-34H
InChIKeyBGJPHVGFUPUFBS-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

4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588383
[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785001
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588500
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
[3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588646

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole?
The IUPAC name of 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole (CID 134352687) is 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.
What is the InChIKey of 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole?
The InChIKey is BGJPHVGFUPUFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-8-23-45-38(16-1)39-17-2-9-24-46(39)55(45)35-32-36(56-47-25-10-3-18-40(47)41-19-4-11-26-48(41)56)34-37(33-35)57-51-29-14-7-22-44(51)54-52(57)30-15-31-53(54)58-49-27-12-5-20-42(49)43-21-6-13-28-50(43)58/h1-34H.
What are the key properties of 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole?
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]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 4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 134352687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).