2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline

C45H28N2O2 — CID 146322075

IUPAC2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline
SMILESc1ccc2c(c1)NC(c1cccc3oc4ccccc4c13)N=C2c1cccc2c1-c1ccccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C45H28N2O2/c1-4-18-32-27(13-1)41-30(16-11-21-35(41)45(32)33-19-5-9-24-38(33)49-39-25-10-6-20-34(39)45)43-28-14-2-7-22-36(28)46-44(47-43)31-17-12-26-40-42(31)29-15-3-8-23-37(29)48-40/h1-26,44,46H
InChIKeySKYKLMJWHFKAEZ-UHFFFAOYSA-N
MW628.73 g/mol
LogP11.02
Rot. Bonds2

About 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline

2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline (PubChem CID 146322075) has the molecular formula C45H28N2O2 and a molecular weight of 628.73 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline
PubChem CID146322075
Molecular FormulaC45H28N2O2
Molecular Weight628.73 g/mol
Exact Mass628.22
IUPAC Name2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline
SMILESc1ccc2c(c1)NC(c1cccc3oc4ccccc4c13)N=C2c1cccc2c1-c1ccccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C45H28N2O2/c1-4-18-32-27(13-1)41-30(16-11-21-35(41)45(32)33-19-5-9-24-38(33)49-39-25-10-6-20-34(39)45)43-28-14-2-7-22-36(28)46-44(47-43)31-17-12-26-40-42(31)29-15-3-8-23-37(29)48-40/h1-26,44,46H
InChIKeySKYKLMJWHFKAEZ-UHFFFAOYSA-N
XLogP11.02
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.73
LogP ≤ 511.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297747
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477512
N-dibenzofuran-3-yl-N-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-4-amine
CID 162771468
2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 163416257
4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine
CID 155443287
N,N-diphenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-5-amine
CID 162771284
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
CID 162771437
4-naphthalen-1-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-3-ium
CID 163901285
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931855

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline?
The IUPAC name of 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline (CID 146322075) is 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline?
The canonical SMILES for 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline is c1ccc2c(c1)NC(c1cccc3oc4ccccc4c13)N=C2c1cccc2c1-c1ccccc1C21c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline?
The InChIKey is SKYKLMJWHFKAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O2/c1-4-18-32-27(13-1)41-30(16-11-21-35(41)45(32)33-19-5-9-24-38(33)49-39-25-10-6-20-34(39)45)43-28-14-2-7-22-36(28)46-44(47-43)31-17-12-26-40-42(31)29-15-3-8-23-37(29)48-40/h1-26,44,46H.
What are the key properties of 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline?
2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline has a molecular weight of 628.73 g/mol, XLogP of 11.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline is sourced from PubChem (CID 146322075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).