1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole

C48H29N3O — CID 155474277

IUPAC1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc5ccccc5nc4-c4ccccc4-c4cccc5ccc6oc7ccccc7c6c45)c32)cc1
InChIInChI=1S/C48H29N3O/c1-2-15-31(16-3-1)51-41-26-10-6-18-33(41)36-22-13-23-38(48(36)51)47-46(49-39-24-8-9-25-40(39)50-47)35-19-5-4-17-32(35)34-21-12-14-30-28-29-43-45(44(30)34)37-20-7-11-27-42(37)52-43/h1-29H
InChIKeyYRQWAQJUMGFCGH-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.78
Rot. Bonds4

About 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole

1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole (PubChem CID 155474277) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole
PubChem CID155474277
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc5ccccc5nc4-c4ccccc4-c4cccc5ccc6oc7ccccc7c6c45)c32)cc1
InChIInChI=1S/C48H29N3O/c1-2-15-31(16-3-1)51-41-26-10-6-18-33(41)36-22-13-23-38(48(36)51)47-46(49-39-24-8-9-25-40(39)50-47)35-19-5-4-17-32(35)34-21-12-14-30-28-29-43-45(44(30)34)37-20-7-11-27-42(37)52-43/h1-29H
InChIKeyYRQWAQJUMGFCGH-UHFFFAOYSA-N
XLogP12.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

15-fluoranthen-8-yl-4-phenyl-24-oxa-4,15-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 126678050
15-fluoranthen-8-yl-18-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680212
15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126678156
18-fluoranthen-2-yl-15-(4-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126678320
1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795791
N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795994
9-(3-dibenzofuran-1-ylquinoxalin-2-yl)carbazole
CID 166849499
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154602228
15-phenanthren-9-yl-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680088
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376489
(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
CID 177073528

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole?
The IUPAC name of 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole (CID 155474277) is 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc5ccccc5nc4-c4ccccc4-c4cccc5ccc6oc7ccccc7c6c45)c32)cc1.
What is the InChIKey of 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole?
The InChIKey is YRQWAQJUMGFCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-2-15-31(16-3-1)51-41-26-10-6-18-33(41)36-22-13-23-38(48(36)51)47-46(49-39-24-8-9-25-40(39)50-47)35-19-5-4-17-32(35)34-21-12-14-30-28-29-43-45(44(30)34)37-20-7-11-27-42(37)52-43/h1-29H.
What are the key properties of 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole?
1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole has a molecular weight of 663.78 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)quinoxalin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 155474277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).