benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole

C33H31N — CID 143905034

IUPACbenzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
SMILESCC.Cc1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2)cc1.c1ccccc1
InChIInChI=1S/C25H19N.C6H6.C2H6/c1-17-7-9-19(10-8-17)21-12-14-25-23(16-21)22-15-20(11-13-24(22)26-25)18-5-3-2-4-6-18;1-2-4-6-5-3-1;1-2/h2-16,26H,1H3;1-6H;1-2H3
InChIKeyYFUIJZYYFHJVRG-UHFFFAOYSA-N
MW441.62 g/mol
LogP9.68
Rot. Bonds2

About benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole

benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole (PubChem CID 143905034) has the molecular formula C33H31N and a molecular weight of 441.62 g/mol. Its IUPAC name is benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole.

Molecular Properties

Compound Namebenzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
PubChem CID143905034
Molecular FormulaC33H31N
Molecular Weight441.62 g/mol
Exact Mass441.25
IUPAC Namebenzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
SMILESCC.Cc1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2)cc1.c1ccccc1
InChIInChI=1S/C25H19N.C6H6.C2H6/c1-17-7-9-19(10-8-17)21-12-14-25-23(16-21)22-15-20(11-13-24(22)26-25)18-5-3-2-4-6-18;1-2-4-6-5-3-1;1-2/h2-16,26H,1H3;1-6H;1-2H3
InChIKeyYFUIJZYYFHJVRG-UHFFFAOYSA-N
XLogP9.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole?
The IUPAC name of benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole (CID 143905034) is benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole.
What is the SMILES notation for benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole?
The canonical SMILES for benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole is CC.Cc1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2)cc1.c1ccccc1.
What is the InChIKey of benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole?
The InChIKey is YFUIJZYYFHJVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N.C6H6.C2H6/c1-17-7-9-19(10-8-17)21-12-14-25-23(16-21)22-15-20(11-13-24(22)26-25)18-5-3-2-4-6-18;1-2-4-6-5-3-1;1-2/h2-16,26H,1H3;1-6H;1-2H3.
What are the key properties of benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole?
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole has a molecular weight of 441.62 g/mol, XLogP of 9.68, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole is sourced from PubChem (CID 143905034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).