4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C50H31N3O2 — CID 166701992

IUPAC4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=C(c2nc(-c3ccccc3)c3oc4ccccc4c3n2)c2c(oc3ccc(-n4c5ccc(-c6ccccc6)cc5c5c6ccccc6ccc54)cc23)CC1
InChIInChI=1S/C50H31N3O2/c1-3-12-30(13-4-1)33-23-25-40-38(28-33)45-35-17-8-7-14-31(35)22-26-41(45)53(40)34-24-27-43-39(29-34)46-37(19-11-21-44(46)54-43)50-51-47(32-15-5-2-6-16-32)49-48(52-50)36-18-9-10-20-42(36)55-49/h1-10,12-20,22-29H,11,21H2
InChIKeyUYBXAJSXATZLDA-UHFFFAOYSA-N
MW705.82 g/mol
LogP13.08
Rot. Bonds4

About 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 166701992) has the molecular formula C50H31N3O2 and a molecular weight of 705.82 g/mol. Its IUPAC name is 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID166701992
Molecular FormulaC50H31N3O2
Molecular Weight705.82 g/mol
Exact Mass705.24
IUPAC Name4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=C(c2nc(-c3ccccc3)c3oc4ccccc4c3n2)c2c(oc3ccc(-n4c5ccc(-c6ccccc6)cc5c5c6ccccc6ccc54)cc23)CC1
InChIInChI=1S/C50H31N3O2/c1-3-12-30(13-4-1)33-23-25-40-38(28-33)45-35-17-8-7-14-31(35)22-26-41(45)53(40)34-24-27-43-39(29-34)46-37(19-11-21-44(46)54-43)50-51-47(32-15-5-2-6-16-32)49-48(52-50)36-18-9-10-20-42(36)55-49/h1-10,12-20,22-29H,11,21H2
InChIKeyUYBXAJSXATZLDA-UHFFFAOYSA-N
XLogP13.08
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.82
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole
CID 146334370
2-[8-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167424319
15-phenyl-13-(10-phenylbenzo[c]carbazol-7-yl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371134
9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 178110262
2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170226014
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 137433908
14-(2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidin-8-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134393745
2-[3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 163454069
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
4-phenyl-2-[8-(3-phenylcarbazol-9-yl)dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 149083793
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-8-phenyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146391769
12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-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 146360499

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 166701992) is 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is C1=C(c2nc(-c3ccccc3)c3oc4ccccc4c3n2)c2c(oc3ccc(-n4c5ccc(-c6ccccc6)cc5c5c6ccccc6ccc54)cc23)CC1.
What is the InChIKey of 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is UYBXAJSXATZLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O2/c1-3-12-30(13-4-1)33-23-25-40-38(28-33)45-35-17-8-7-14-31(35)22-26-41(45)53(40)34-24-27-43-39(29-34)46-37(19-11-21-44(46)54-43)50-51-47(32-15-5-2-6-16-32)49-48(52-50)36-18-9-10-20-42(36)55-49/h1-10,12-20,22-29H,11,21H2.
What are the key properties of 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 705.82 g/mol, XLogP of 13.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 166701992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).