2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline

C51H41N3O — CID 170139743

IUPAC2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline
SMILESCC1C=CC(N(C)c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(C6=CC=CC(C)C6)c5c43)cc2-c2cccc3c2oc2ccccc23)=CC1
InChIInChI=1S/C51H41N3O/c1-32-22-24-34(25-23-32)52(3)45-29-26-36(31-44(45)43-18-11-17-42-39-16-6-9-21-48(39)55-51(42)43)54-47-20-8-5-15-38(47)41-28-27-40-37-14-4-7-19-46(37)53(49(40)50(41)54)35-13-10-12-33(2)30-35/h4-22,24-29,31-33H,23,30H2,1-3H3
InChIKeyYSFCCQSURUVWTN-UHFFFAOYSA-N
MW711.91 g/mol
LogP13.81
Rot. Bonds5

About 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline

2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline (PubChem CID 170139743) has the molecular formula C51H41N3O and a molecular weight of 711.91 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline
PubChem CID170139743
Molecular FormulaC51H41N3O
Molecular Weight711.91 g/mol
Exact Mass711.32
IUPAC Name2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline
SMILESCC1C=CC(N(C)c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(C6=CC=CC(C)C6)c5c43)cc2-c2cccc3c2oc2ccccc23)=CC1
InChIInChI=1S/C51H41N3O/c1-32-22-24-34(25-23-32)52(3)45-29-26-36(31-44(45)43-18-11-17-42-39-16-6-9-21-48(39)55-51(42)43)54-47-20-8-5-15-38(47)41-28-27-40-37-14-4-7-19-46(37)53(49(40)50(41)54)35-13-10-12-33(2)30-35/h4-22,24-29,31-33H,23,30H2,1-3H3
InChIKeyYSFCCQSURUVWTN-UHFFFAOYSA-N
XLogP13.81
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170688597
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165583
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
CID 170534647
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 147559301
11-phenyl-12-(6-phenyldibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 122594951
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline?
The IUPAC name of 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline (CID 170139743) is 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline.
What is the SMILES notation for 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline?
The canonical SMILES for 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline is CC1C=CC(N(C)c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(C6=CC=CC(C)C6)c5c43)cc2-c2cccc3c2oc2ccccc23)=CC1.
What is the InChIKey of 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline?
The InChIKey is YSFCCQSURUVWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N3O/c1-32-22-24-34(25-23-32)52(3)45-29-26-36(31-44(45)43-18-11-17-42-39-16-6-9-21-48(39)55-51(42)43)54-47-20-8-5-15-38(47)41-28-27-40-37-14-4-7-19-46(37)53(49(40)50(41)54)35-13-10-12-33(2)30-35/h4-22,24-29,31-33H,23,30H2,1-3H3.
What are the key properties of 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline?
2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline has a molecular weight of 711.91 g/mol, XLogP of 13.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-4-[11-(5-methylcyclohexa-1,3-dien-1-yl)indolo[2,3-a]carbazol-12-yl]aniline is sourced from PubChem (CID 170139743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).