2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline

C28H26N2 — CID 163739218

IUPAC2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline
SMILESCCn1c2ccccc2c2cc(-c3ccc(C)c(-c4ccccc4NC)c3)ccc21
InChIInChI=1S/C28H26N2/c1-4-30-27-12-8-6-10-23(27)25-18-21(15-16-28(25)30)20-14-13-19(2)24(17-20)22-9-5-7-11-26(22)29-3/h5-18,29H,4H2,1-3H3
InChIKeyLGHOBQZQQHEMBT-UHFFFAOYSA-N
MW390.53 g/mol
LogP7.50
Rot. Bonds4

About 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline

2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline (PubChem CID 163739218) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline.

Molecular Properties

Compound Name2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline
PubChem CID163739218
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline
SMILESCCn1c2ccccc2c2cc(-c3ccc(C)c(-c4ccccc4NC)c3)ccc21
InChIInChI=1S/C28H26N2/c1-4-30-27-12-8-6-10-23(27)25-18-21(15-16-28(25)30)20-14-13-19(2)24(17-20)22-9-5-7-11-26(22)29-3/h5-18,29H,4H2,1-3H3
InChIKeyLGHOBQZQQHEMBT-UHFFFAOYSA-N
XLogP7.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole
CID 163643695
9-ethylcarbazole;4-ethyl-1-methyl-2-(2-methylphenyl)benzene
CID 143561149
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 163418065
9-ethyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 88924321
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 58038560
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 118404976

Frequently Asked Questions

What is the IUPAC name of 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline?
The IUPAC name of 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline (CID 163739218) is 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline.
What is the SMILES notation for 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline?
The canonical SMILES for 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline is CCn1c2ccccc2c2cc(-c3ccc(C)c(-c4ccccc4NC)c3)ccc21.
What is the InChIKey of 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline?
The InChIKey is LGHOBQZQQHEMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c1-4-30-27-12-8-6-10-23(27)25-18-21(15-16-28(25)30)20-14-13-19(2)24(17-20)22-9-5-7-11-26(22)29-3/h5-18,29H,4H2,1-3H3.
What are the key properties of 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline?
2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline has a molecular weight of 390.53 g/mol, XLogP of 7.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline is sourced from PubChem (CID 163739218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).