3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole

C46H29N3 — CID 134240253

IUPAC3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc43)cccc2c1
InChIInChI=1S/C46H29N3/c1-2-15-32-30(13-1)14-11-24-38(32)48-41-22-9-5-18-35(41)37-29-31(27-28-43(37)48)47-42-23-10-6-19-36(42)46-44(47)25-12-26-45(46)49-39-20-7-3-16-33(39)34-17-4-8-21-40(34)49/h1-29H
InChIKeyNOMQSWKOOWMCHJ-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.13
Rot. Bonds3

About 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole

3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole (PubChem CID 134240253) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
PubChem CID134240253
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc43)cccc2c1
InChIInChI=1S/C46H29N3/c1-2-15-32-30(13-1)14-11-24-38(32)48-41-22-9-5-18-35(41)37-29-31(27-28-43(37)48)47-42-23-10-6-19-36(42)46-44(47)25-12-26-45(46)49-39-20-7-3-16-33(39)34-17-4-8-21-40(34)49/h1-29H
InChIKeyNOMQSWKOOWMCHJ-UHFFFAOYSA-N
XLogP12.13
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole
CID 158770389
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
1-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 161184610
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole (CID 134240253) is 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole is c1ccc2c(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc43)cccc2c1.
What is the InChIKey of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole?
The InChIKey is NOMQSWKOOWMCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-2-15-32-30(13-1)14-11-24-38(32)48-41-22-9-5-18-35(41)37-29-31(27-28-43(37)48)47-42-23-10-6-19-36(42)46-44(47)25-12-26-45(46)49-39-20-7-3-16-33(39)34-17-4-8-21-40(34)49/h1-29H.
What are the key properties of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole?
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole has a molecular weight of 623.76 g/mol, XLogP of 12.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 134240253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).