7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole

C33H35N2O+ — CID 155769627

IUPAC7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole
SMILESCc1c(C(C)(C)C)c2c3ccccc3oc2c2c3ccccc3n(-c3cc(C(C)(C)C)cc[n+]3C)c12
InChIInChI=1S/C33H35N2O/c1-20-29(33(5,6)7)27-23-14-10-12-16-25(23)36-31(27)28-22-13-9-11-15-24(22)35(30(20)28)26-19-21(32(2,3)4)17-18-34(26)8/h9-19H,1-8H3/q+1
InChIKeyCSTRRXJONBFRQJ-UHFFFAOYSA-N
MW475.66 g/mol
LogP8.41
Rot. Bonds1

About 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole

7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 155769627) has the molecular formula C33H35N2O+ and a molecular weight of 475.66 g/mol. Its IUPAC name is 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole
PubChem CID155769627
Molecular FormulaC33H35N2O+
Molecular Weight475.66 g/mol
Exact Mass475.27
IUPAC Name7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole
SMILESCc1c(C(C)(C)C)c2c3ccccc3oc2c2c3ccccc3n(-c3cc(C(C)(C)C)cc[n+]3C)c12
InChIInChI=1S/C33H35N2O/c1-20-29(33(5,6)7)27-23-14-10-12-16-25(23)36-31(27)28-22-13-9-11-15-24(22)35(30(20)28)26-19-21(32(2,3)4)17-18-34(26)8/h9-19H,1-8H3/q+1
InChIKeyCSTRRXJONBFRQJ-UHFFFAOYSA-N
XLogP8.41
TPSA21.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.66
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-tert-butyl-3-(3-dibenzofuran-1-yl-2-methyl-2H-benzimidazol-1-yl)-2-methylphenoxy]-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 165150152
11-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-9-methyl-11-azaheptacyclo[13.6.6.02,14.04,12.05,10.016,21.022,27]heptacosa-2(14),3,5,7,9,12,16,18,20,22,24,26-dodecaene
CID 176845147
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 155769608
9-(4-methylphenyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 126501169
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-carbazol-9-yl-2-methyl-[1]benzofuro[3,2-c]pyridin-2-ium
CID 171459238
27-(9-phenylcarbazol-3-yl)-9,18-dioxa-27-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 149129476
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-carbazol-9-yl-2-methyl-[1]benzofuro[2,3-c]pyridin-2-ium
CID 171458845
9-(4-carbazol-9-ylphenyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118502828
9-(3-carbazol-9-ylphenyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118502836
5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-3,26-dimethyl-5,18-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene
CID 161082728
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
5-methyl-6-(2-methylphenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 144726077

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole (CID 155769627) is 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole is Cc1c(C(C)(C)C)c2c3ccccc3oc2c2c3ccccc3n(-c3cc(C(C)(C)C)cc[n+]3C)c12.
What is the InChIKey of 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is CSTRRXJONBFRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N2O/c1-20-29(33(5,6)7)27-23-14-10-12-16-25(23)36-31(27)28-22-13-9-11-15-24(22)35(30(20)28)26-19-21(32(2,3)4)17-18-34(26)8/h9-19H,1-8H3/q+1.
What are the key properties of 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole?
7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 475.66 g/mol, XLogP of 8.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-6-methyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 155769627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).