5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole

C46H29N3O — CID 154968692

IUPAC5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(C2NC(c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)=Nc3ccccc32)cc1
InChIInChI=1S/C46H29N3O/c1-2-13-28(14-3-1)43-34-20-8-10-22-38(34)47-46(48-43)37-26-31-17-6-7-18-32(31)42-35-21-12-24-40(44(35)50-45(37)42)49-39-23-11-9-19-33(39)36-25-29-15-4-5-16-30(29)27-41(36)49/h1-27,43H,(H,47,48)
InChIKeyMMZOQEXPOVKDAN-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.76
Rot. Bonds3

About 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole

5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole (PubChem CID 154968692) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
PubChem CID154968692
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(C2NC(c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)=Nc3ccccc32)cc1
InChIInChI=1S/C46H29N3O/c1-2-13-28(14-3-1)43-34-20-8-10-22-38(34)47-46(48-43)37-26-31-17-6-7-18-32(31)42-35-21-12-24-40(44(35)50-45(37)42)49-39-23-11-9-19-33(39)36-25-29-15-4-5-16-30(29)27-41(36)49/h1-27,43H,(H,47,48)
InChIKeyMMZOQEXPOVKDAN-UHFFFAOYSA-N
XLogP11.76
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-6-yl)-4-phenyl-3,4-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 166819898
5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 154968691
5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 164707859
15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 137209288
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707544
3-phenyl-28-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 163591893
3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole
CID 136631150
3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 144925897
ethane;4-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,4-diazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.025,30]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(34),24(33),25,27,29,31-hexadecaene
CID 145351033
5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 167200347
5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole
CID 164707669

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The IUPAC name of 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole (CID 154968692) is 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole is c1ccc(C2NC(c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)=Nc3ccccc32)cc1.
What is the InChIKey of 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The InChIKey is MMZOQEXPOVKDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-2-13-28(14-3-1)43-34-20-8-10-22-38(34)47-46(48-43)37-26-31-17-6-7-18-32(31)42-35-21-12-24-40(44(35)50-45(37)42)49-39-23-11-9-19-33(39)36-25-29-15-4-5-16-30(29)27-41(36)49/h1-27,43H,(H,47,48).
What are the key properties of 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole has a molecular weight of 639.76 g/mol, XLogP of 11.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole is sourced from PubChem (CID 154968692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).