9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole

C48H32N3+ — CID 163544201

IUPAC9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)[NH+](c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C48H31N3/c1-3-13-34(14-4-1)49-44-21-11-8-18-38(44)41-29-32(23-27-46(41)49)33-24-28-47-42(30-33)39-19-9-12-22-45(39)51(47)36-25-26-40-37-17-7-10-20-43(37)50(48(40)31-36)35-15-5-2-6-16-35/h1-31H/p+1
InChIKeyFDPWJTOTWZKTHE-UHFFFAOYSA-O
MW650.81 g/mol
LogP11.71
Rot. Bonds4

About 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole

9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole (PubChem CID 163544201) has the molecular formula C48H32N3+ and a molecular weight of 650.81 g/mol. Its IUPAC name is 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole
PubChem CID163544201
Molecular FormulaC48H32N3+
Molecular Weight650.81 g/mol
Exact Mass650.26
IUPAC Name9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)[NH+](c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C48H31N3/c1-3-13-34(14-4-1)49-44-21-11-8-18-38(44)41-29-32(23-27-46(41)49)33-24-28-47-42(30-33)39-19-9-12-22-45(39)51(47)36-25-26-40-37-17-7-10-20-43(37)50(48(40)31-36)35-15-5-2-6-16-35/h1-31H/p+1
InChIKeyFDPWJTOTWZKTHE-UHFFFAOYSA-O
XLogP11.71
TPSA14.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.81
LogP ≤ 511.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole (CID 163544201) is 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)[NH+](c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole?
The InChIKey is FDPWJTOTWZKTHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C48H31N3/c1-3-13-34(14-4-1)49-44-21-11-8-18-38(44)41-29-32(23-27-46(41)49)33-24-28-47-42(30-33)39-19-9-12-22-45(39)51(47)36-25-26-40-37-17-7-10-20-43(37)50(48(40)31-36)35-15-5-2-6-16-35/h1-31H/p+1.
What are the key properties of 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole?
9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole has a molecular weight of 650.81 g/mol, XLogP of 11.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-(9-phenyl-9H-carbazol-9-ium-2-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 163544201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).