3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole

C60H38N4 — CID 174179535

IUPAC3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C60H38N4/c1-3-15-41(16-4-1)61-53-23-11-7-19-45(53)49-35-39(27-31-57(49)61)40-28-32-58-50(36-40)46-20-8-13-25-55(46)63(58)43-30-34-60-52(38-43)48-22-10-14-26-56(48)64(60)44-29-33-59-51(37-44)47-21-9-12-24-54(47)62(59)42-17-5-2-6-18-42/h1-38H
InChIKeyVEYRJZLURJGWJZ-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.74
Rot. Bonds5

About 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole (PubChem CID 174179535) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
PubChem CID174179535
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C60H38N4/c1-3-15-41(16-4-1)61-53-23-11-7-19-45(53)49-35-39(27-31-57(49)61)40-28-32-58-50(36-40)46-20-8-13-25-55(46)63(58)43-30-34-60-52(38-43)48-22-10-14-26-56(48)64(60)44-29-33-59-51(37-44)47-21-9-12-24-54(47)62(59)42-17-5-2-6-18-42/h1-38H
InChIKeyVEYRJZLURJGWJZ-UHFFFAOYSA-N
XLogP15.74
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole (CID 174179535) is 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
The InChIKey is VEYRJZLURJGWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-3-15-41(16-4-1)61-53-23-11-7-19-45(53)49-35-39(27-31-57(49)61)40-28-32-58-50(36-40)46-20-8-13-25-55(46)63(58)43-30-34-60-52(38-43)48-22-10-14-26-56(48)64(60)44-29-33-59-51(37-44)47-21-9-12-24-54(47)62(59)42-17-5-2-6-18-42/h1-38H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole has a molecular weight of 814.99 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 174179535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).