5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole

C40H40N2 — CID 129133621

IUPAC5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole
SMILESCCCCCCc1ccc(-n2c3ccc(C)cc3c3cc4c(cc32)c2cc(C)ccc2n4-c2c(C)cccc2C)cc1
InChIInChI=1S/C40H40N2/c1-6-7-8-9-13-30-16-18-31(19-17-30)41-36-20-14-26(2)22-32(36)34-25-39-35(24-38(34)41)33-23-27(3)15-21-37(33)42(39)40-28(4)11-10-12-29(40)5/h10-12,14-25H,6-9,13H2,1-5H3
InChIKeyXJYKVCDPXBBPFN-UHFFFAOYSA-N
MW548.77 g/mol
LogP11.24
Rot. Bonds7

About 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole

5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole (PubChem CID 129133621) has the molecular formula C40H40N2 and a molecular weight of 548.77 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole
PubChem CID129133621
Molecular FormulaC40H40N2
Molecular Weight548.77 g/mol
Exact Mass548.32
IUPAC Name5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole
SMILESCCCCCCc1ccc(-n2c3ccc(C)cc3c3cc4c(cc32)c2cc(C)ccc2n4-c2c(C)cccc2C)cc1
InChIInChI=1S/C40H40N2/c1-6-7-8-9-13-30-16-18-31(19-17-30)41-36-20-14-26(2)22-32(36)34-25-39-35(24-38(34)41)33-23-27(3)15-21-37(33)42(39)40-28(4)11-10-12-29(40)5/h10-12,14-25H,6-9,13H2,1-5H3
InChIKeyXJYKVCDPXBBPFN-UHFFFAOYSA-N
XLogP11.24
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.77
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
12,26-bis(4-decylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 86703822
6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine
CID 135167848
3,6-dimethyl-9-(4-octoxyphenyl)carbazole
CID 21042265
N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
CID 130398280
2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol
CID 144989095
3,6-dimethyl-9-(4-pentoxyphenyl)carbazole
CID 59683855
CID 174005636
CID 174005636
3-methyl-9-[8-[3-(3-octylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 126754777
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
9-[4-[4-[4-(3,6-dihexylcarbazol-9-yl)phenyl]-2,5-dihexylphenyl]phenyl]-3,6-dihexylcarbazole
CID 154973928
ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
CID 153373641

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole?
The IUPAC name of 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole (CID 129133621) is 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole?
The canonical SMILES for 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole is CCCCCCc1ccc(-n2c3ccc(C)cc3c3cc4c(cc32)c2cc(C)ccc2n4-c2c(C)cccc2C)cc1.
What is the InChIKey of 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole?
The InChIKey is XJYKVCDPXBBPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N2/c1-6-7-8-9-13-30-16-18-31(19-17-30)41-36-20-14-26(2)22-32(36)34-25-39-35(24-38(34)41)33-23-27(3)15-21-37(33)42(39)40-28(4)11-10-12-29(40)5/h10-12,14-25H,6-9,13H2,1-5H3.
What are the key properties of 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole?
5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole has a molecular weight of 548.77 g/mol, XLogP of 11.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole is sourced from PubChem (CID 129133621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).