12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium

C26H21N2+ — CID 163728015

IUPAC12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium
SMILESC[N+]1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C26H21N2/c1-28(2)24-15-9-7-13-20(24)22-17-16-21-19-12-6-8-14-23(19)27(25(21)26(22)28)18-10-4-3-5-11-18/h3-17H,1-2H3/q+1
InChIKeyDXRMFVAQFKGNOV-UHFFFAOYSA-N
MW361.47 g/mol
LogP6.66
Rot. Bonds1

About 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium

12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium (PubChem CID 163728015) has the molecular formula C26H21N2+ and a molecular weight of 361.47 g/mol. Its IUPAC name is 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium.

Molecular Properties

Compound Name12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium
PubChem CID163728015
Molecular FormulaC26H21N2+
Molecular Weight361.47 g/mol
Exact Mass361.17
IUPAC Name12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium
SMILESC[N+]1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C26H21N2/c1-28(2)24-15-9-7-13-20(24)22-17-16-21-19-12-6-8-14-23(19)27(25(21)26(22)28)18-10-4-3-5-11-18/h3-17H,1-2H3/q+1
InChIKeyDXRMFVAQFKGNOV-UHFFFAOYSA-N
XLogP6.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
3-[5-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)dibenzothiophen-5-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 58489546
4-phenyl-1,4-diazaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21,23,25(32),26,28,30-pentadecaene
CID 126699842
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
21-methyl-18,30-diphenyl-18,21,30-triazaoctacyclo[20.11.0.02,7.08,20.011,19.012,17.023,31.024,29]tritriaconta-1(22),2,4,6,8(20),9,11(19),12,14,16,23(31),24,26,28,32-pentadecaene
CID 139506231
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
CID 176615335
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium?
The IUPAC name of 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium (CID 163728015) is 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium.
What is the SMILES notation for 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium?
The canonical SMILES for 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium is C[N+]1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium?
The InChIKey is DXRMFVAQFKGNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N2/c1-28(2)24-15-9-7-13-20(24)22-17-16-21-19-12-6-8-14-23(19)27(25(21)26(22)28)18-10-4-3-5-11-18/h3-17H,1-2H3/q+1.
What are the key properties of 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium?
12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium has a molecular weight of 361.47 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium is sourced from PubChem (CID 163728015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).