4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine

C34H23N3O — CID 144725268

IUPAC4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=NC(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)C2Oc3ccccc3C2=N1
InChIInChI=1S/C34H23N3O/c1-4-16-29-26(13-1)27-14-2-5-17-30(27)37(29)25-12-8-10-23(20-25)22-9-7-11-24(19-22)32-34-33(36-21-35-32)28-15-3-6-18-31(28)38-34/h1-21,32,34H
InChIKeyVCVHYVZNTBGCSA-UHFFFAOYSA-N
MW489.58 g/mol
LogP7.78
Rot. Bonds3

About 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine

4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 144725268) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine
PubChem CID144725268
Molecular FormulaC34H23N3O
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=NC(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)C2Oc3ccccc3C2=N1
InChIInChI=1S/C34H23N3O/c1-4-16-29-26(13-1)27-14-2-5-17-30(27)37(29)25-12-8-10-23(20-25)22-9-7-11-24(19-22)32-34-33(36-21-35-32)28-15-3-6-18-31(28)38-34/h1-21,32,34H
InChIKeyVCVHYVZNTBGCSA-UHFFFAOYSA-N
XLogP7.78
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
18-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795482
3-(3-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795494
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
CID 122622889
4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 164800354
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine (CID 144725268) is 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine is C1=NC(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)C2Oc3ccccc3C2=N1.
What is the InChIKey of 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VCVHYVZNTBGCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-4-16-29-26(13-1)27-14-2-5-17-30(27)37(29)25-12-8-10-23(20-25)22-9-7-11-24(19-22)32-34-33(36-21-35-32)28-15-3-6-18-31(28)38-34/h1-21,32,34H.
What are the key properties of 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine?
4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 489.58 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-carbazol-9-ylphenyl)phenyl]-4,4a-dihydro-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 144725268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).