12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole

C46H28N2O — CID 167030154

IUPAC12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7c6oc6ccccc67)c45)cc3)cccc2c1
InChIInChI=1S/C46H28N2O/c1-2-13-32-29(11-1)12-9-17-33(32)30-23-25-31(26-24-30)47-40-20-7-4-16-38(40)44-41(47)28-27-36-34-14-3-6-19-39(34)48(45(36)44)42-21-10-18-37-35-15-5-8-22-43(35)49-46(37)42/h1-28H
InChIKeyPVTRXZNOBREEAJ-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.60
Rot. Bonds3

About 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole

12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole (PubChem CID 167030154) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole
PubChem CID167030154
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7c6oc6ccccc67)c45)cc3)cccc2c1
InChIInChI=1S/C46H28N2O/c1-2-13-32-29(11-1)12-9-17-33(32)30-23-25-31(26-24-30)47-40-20-7-4-16-38(40)44-41(47)28-27-36-34-14-3-6-19-39(34)48(45(36)44)42-21-10-18-37-35-15-5-8-22-43(35)49-46(37)42/h1-28H
InChIKeyPVTRXZNOBREEAJ-UHFFFAOYSA-N
XLogP12.60
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzofuran-4-yl-14-(4-naphthalen-1-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167029631
12-dibenzofuran-4-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163757322
5-dibenzofuran-4-yl-7-(4-naphthalen-1-ylphenyl)indolo[2,3-b]carbazole
CID 167029628
14-(4-dibenzofuran-4-ylphenyl)-3-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 147149838
3-(4-dibenzofuran-4-ylphenyl)-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 126580193
5-dibenzofuran-4-yl-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167029640
15-dibenzofuran-4-yl-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(3-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 160912850
9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167029624
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679300
12-dibenzofuran-1-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744311
12-dibenzofuran-2-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744285

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole (CID 167030154) is 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole is c1ccc2c(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7c6oc6ccccc67)c45)cc3)cccc2c1.
What is the InChIKey of 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole?
The InChIKey is PVTRXZNOBREEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-13-32-29(11-1)12-9-17-33(32)30-23-25-31(26-24-30)47-40-20-7-4-16-38(40)44-41(47)28-27-36-34-14-3-6-19-39(34)48(45(36)44)42-21-10-18-37-35-15-5-8-22-43(35)49-46(37)42/h1-28H.
What are the key properties of 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole?
12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole has a molecular weight of 624.74 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 167030154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).