3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole

C26H21N2+ — CID 163643695

IUPAC3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4c(c3)-c3ccccc3[NH2+]4)ccc21
InChIInChI=1S/C26H20N2/c1-2-28-25-10-6-4-8-20(25)22-16-18(12-14-26(22)28)17-11-13-24-21(15-17)19-7-3-5-9-23(19)27-24/h3-16,27H,2H2,1H3/p+1
InChIKeyIGLIAVCJPISXIN-UHFFFAOYSA-O
MW361.47 g/mol
LogP5.99
Rot. Bonds2

About 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole

3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole (PubChem CID 163643695) has the molecular formula C26H21N2+ and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole.

Molecular Properties

Compound Name3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole
PubChem CID163643695
Molecular FormulaC26H21N2+
Molecular Weight361.47 g/mol
Exact Mass361.17
IUPAC Name3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4c(c3)-c3ccccc3[NH2+]4)ccc21
InChIInChI=1S/C26H20N2/c1-2-28-25-10-6-4-8-20(25)22-16-18(12-14-26(22)28)17-11-13-24-21(15-17)19-7-3-5-9-23(19)27-24/h3-16,27H,2H2,1H3/p+1
InChIKeyIGLIAVCJPISXIN-UHFFFAOYSA-O
XLogP5.99
TPSA21.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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
2-[5-(9-ethylcarbazol-3-yl)-2-methylphenyl]-N-methylaniline
CID 163739218
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
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole
CID 58556574
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole?
The IUPAC name of 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole (CID 163643695) is 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole.
What is the SMILES notation for 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole?
The canonical SMILES for 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole is CCn1c2ccccc2c2cc(-c3ccc4c(c3)-c3ccccc3[NH2+]4)ccc21.
What is the InChIKey of 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole?
The InChIKey is IGLIAVCJPISXIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H20N2/c1-2-28-25-10-6-4-8-20(25)22-16-18(12-14-26(22)28)17-11-13-24-21(15-17)19-7-3-5-9-23(19)27-24/h3-16,27H,2H2,1H3/p+1.
What are the key properties of 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole?
3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole has a molecular weight of 361.47 g/mol, XLogP of 5.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole is sourced from PubChem (CID 163643695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).