5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole

C46H30N2O — CID 167029493

IUPAC5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
SMILESC1=Cc2cc3oc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c56)ccc4c3cc2CC1
InChIInChI=1S/C46H30N2O/c1-2-10-29(11-3-1)30-18-20-33(21-19-30)48-40-16-8-6-14-35(40)37-24-25-42-45(46(37)48)38-15-7-9-17-41(38)47(42)34-22-23-36-39-26-31-12-4-5-13-32(31)27-43(39)49-44(36)28-34/h1-3,5-11,13-28H,4,12H2
InChIKeyCZWFSGGVKSGLDM-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.41
Rot. Bonds3

About 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole

5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 167029493) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID167029493
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC Name5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
SMILESC1=Cc2cc3oc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c56)ccc4c3cc2CC1
InChIInChI=1S/C46H30N2O/c1-2-10-29(11-3-1)30-18-20-33(21-19-30)48-40-16-8-6-14-35(40)37-24-25-42-45(46(37)48)38-15-7-9-17-41(38)47(42)34-22-23-36-39-26-31-12-4-5-13-32(31)27-43(39)49-44(36)28-34/h1-3,5-11,13-28H,4,12H2
InChIKeyCZWFSGGVKSGLDM-UHFFFAOYSA-N
XLogP12.41
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-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 167030376
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
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
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole
CID 167029821
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
9-dibenzofuran-3-yl-14-(3,5-diphenylphenyl)-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;9-dibenzofuran-3-yl-14-[4-(4-phenylphenyl)phenyl]-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 165079069
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole (CID 167029493) is 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole is C1=Cc2cc3oc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c56)ccc4c3cc2CC1.
What is the InChIKey of 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is CZWFSGGVKSGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-2-10-29(11-3-1)30-18-20-33(21-19-30)48-40-16-8-6-14-35(40)37-24-25-42-45(46(37)48)38-15-7-9-17-41(38)47(42)34-22-23-36-39-26-31-12-4-5-13-32(31)27-43(39)49-44(36)28-34/h1-3,5-11,13-28H,4,12H2.
What are the key properties of 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole?
5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 626.76 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 167029493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).