6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole

C48H33N3O — CID 118228142

IUPAC6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
SMILESC1=C(c2ccccc2)NC(c2ccc(-n3c4ccccc4c4c5oc(-c6ccccc6)c(-c6ccccc6)c5ccc43)cc2)N=C1c1ccccc1
InChIInChI=1S/C48H33N3O/c1-5-15-32(16-6-1)40-31-41(33-17-7-2-8-18-33)50-48(49-40)36-25-27-37(28-26-36)51-42-24-14-13-23-38(42)45-43(51)30-29-39-44(34-19-9-3-10-20-34)46(52-47(39)45)35-21-11-4-12-22-35/h1-31,48-49H
InChIKeyOACXRRKWIZVUJV-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.00
Rot. Bonds6

About 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole

6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole (PubChem CID 118228142) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
PubChem CID118228142
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
SMILESC1=C(c2ccccc2)NC(c2ccc(-n3c4ccccc4c4c5oc(-c6ccccc6)c(-c6ccccc6)c5ccc43)cc2)N=C1c1ccccc1
InChIInChI=1S/C48H33N3O/c1-5-15-32(16-6-1)40-31-41(33-17-7-2-8-18-33)50-48(49-40)36-25-27-37(28-26-36)51-42-24-14-13-23-38(42)45-43(51)30-29-39-44(34-19-9-3-10-20-34)46(52-47(39)45)35-21-11-4-12-22-35/h1-31,48-49H
InChIKeyOACXRRKWIZVUJV-UHFFFAOYSA-N
XLogP12.00
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
2-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 163851529
2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole
CID 118228195
9-[9-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166859966
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228116
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]dibenzofuran-4-yl]carbazole
CID 166961182
2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole
CID 140680258
12-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9,10-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 129200006
2-(5a,9a-dihydrodibenzothiophen-4-yl)-9-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]carbazole
CID 146532112
2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229659

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole?
The IUPAC name of 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole (CID 118228142) is 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole is C1=C(c2ccccc2)NC(c2ccc(-n3c4ccccc4c4c5oc(-c6ccccc6)c(-c6ccccc6)c5ccc43)cc2)N=C1c1ccccc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole?
The InChIKey is OACXRRKWIZVUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-5-15-32(16-6-1)40-31-41(33-17-7-2-8-18-33)50-48(49-40)36-25-27-37(28-26-36)51-42-24-14-13-23-38(42)45-43(51)30-29-39-44(34-19-9-3-10-20-34)46(52-47(39)45)35-21-11-4-12-22-35/h1-31,48-49H.
What are the key properties of 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole?
6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole has a molecular weight of 667.81 g/mol, XLogP of 12.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole is sourced from PubChem (CID 118228142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).