3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole

C48H29N3O — CID 118067224

IUPAC3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
SMILESc1ccc2c(-c3nc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccc54)nc4ccccc34)cccc2c1
InChIInChI=1S/C48H29N3O/c1-2-12-35-32(10-1)11-9-16-38(35)47-39-15-3-6-17-42(39)49-48(50-47)51-43-18-7-4-13-36(43)40-28-33(24-26-44(40)51)30-20-22-31(23-21-30)34-25-27-46-41(29-34)37-14-5-8-19-45(37)52-46/h1-29H
InChIKeySWAVSWAQMCVWFM-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.78
Rot. Bonds4

About 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole

3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole (PubChem CID 118067224) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
PubChem CID118067224
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
SMILESc1ccc2c(-c3nc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccc54)nc4ccccc34)cccc2c1
InChIInChI=1S/C48H29N3O/c1-2-12-35-32(10-1)11-9-16-38(35)47-39-15-3-6-17-42(39)49-48(50-47)51-43-18-7-4-13-36(43)40-28-33(24-26-44(40)51)30-20-22-31(23-21-30)34-25-27-46-41(29-34)37-14-5-8-19-45(37)52-46/h1-29H
InChIKeySWAVSWAQMCVWFM-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

2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375631
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
12-(4-dibenzofuran-2-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149691
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 155485509

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole?
The IUPAC name of 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole (CID 118067224) is 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole.
What is the SMILES notation for 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole?
The canonical SMILES for 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole is c1ccc2c(-c3nc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccc54)nc4ccccc34)cccc2c1.
What is the InChIKey of 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole?
The InChIKey is SWAVSWAQMCVWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-2-12-35-32(10-1)11-9-16-38(35)47-39-15-3-6-17-42(39)49-48(50-47)51-43-18-7-4-13-36(43)40-28-33(24-26-44(40)51)30-20-22-31(23-21-30)34-25-27-46-41(29-34)37-14-5-8-19-45(37)52-46/h1-29H.
What are the key properties of 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole?
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole 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 3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole is sourced from PubChem (CID 118067224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).