12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

C46H34N2O — CID 170176907

IUPAC12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCCCCc1cccc2c1oc1ccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc12
InChIInChI=1S/C46H34N2O/c1-2-3-12-31-13-11-18-37-39-29-32(23-28-43(39)49-46(31)37)30-21-24-34(25-22-30)48-40-19-9-7-16-35(40)36-26-27-42-44(45(36)48)38-17-8-10-20-41(38)47(42)33-14-5-4-6-15-33/h4-11,13-29H,2-3,12H2,1H3
InChIKeyZXQRRRONBYIOLF-UHFFFAOYSA-N
MW630.79 g/mol
LogP12.79
Rot. Bonds6

About 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 170176907) has the molecular formula C46H34N2O and a molecular weight of 630.79 g/mol. Its IUPAC name is 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID170176907
Molecular FormulaC46H34N2O
Molecular Weight630.79 g/mol
Exact Mass630.27
IUPAC Name12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCCCCc1cccc2c1oc1ccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc12
InChIInChI=1S/C46H34N2O/c1-2-3-12-31-13-11-18-37-39-29-32(23-28-43(39)49-46(31)37)30-21-24-34(25-22-30)48-40-19-9-7-16-35(40)36-26-27-42-44(45(36)48)38-17-8-10-20-41(38)47(42)33-14-5-4-6-15-33/h4-11,13-29H,2-3,12H2,1H3
InChIKeyZXQRRRONBYIOLF-UHFFFAOYSA-N
XLogP12.79
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189
5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
CID 123179485
3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167001870
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
9-[4-(9-phenylcarbazol-3-yl)phenyl]-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 118488580
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504654
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915

Frequently Asked Questions

What is the IUPAC name of 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 170176907) is 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is CCCCc1cccc2c1oc1ccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc12.
What is the InChIKey of 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is ZXQRRRONBYIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O/c1-2-3-12-31-13-11-18-37-39-29-32(23-28-43(39)49-46(31)37)30-21-24-34(25-22-30)48-40-19-9-7-16-35(40)36-26-27-42-44(45(36)48)38-17-8-10-20-41(38)47(42)33-14-5-4-6-15-33/h4-11,13-29H,2-3,12H2,1H3.
What are the key properties of 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 630.79 g/mol, XLogP of 12.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 170176907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).