2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

C35H22N2O2 — CID 167454048

IUPAC2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-n2c3ccc(C4Nc5c(ccc6oc7ccccc7c56)O4)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C35H22N2O2/c1-2-9-23(10-3-1)37-27-16-15-22(20-26(27)32-24-11-5-4-8-21(24)14-17-28(32)37)35-36-34-31(39-35)19-18-30-33(34)25-12-6-7-13-29(25)38-30/h1-20,35-36H
InChIKeyFXZXKKSINVSSCD-UHFFFAOYSA-N
MW502.57 g/mol
LogP9.34
Rot. Bonds2

About 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (PubChem CID 167454048) has the molecular formula C35H22N2O2 and a molecular weight of 502.57 g/mol. Its IUPAC name is 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.

Molecular Properties

Compound Name2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
PubChem CID167454048
Molecular FormulaC35H22N2O2
Molecular Weight502.57 g/mol
Exact Mass502.17
IUPAC Name2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-n2c3ccc(C4Nc5c(ccc6oc7ccccc7c56)O4)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C35H22N2O2/c1-2-9-23(10-3-1)37-27-16-15-22(20-26(27)32-24-11-5-4-8-21(24)14-17-28(32)37)35-36-34-31(39-35)19-18-30-33(34)25-12-6-7-13-29(25)38-30/h1-20,35-36H
InChIKeyFXZXKKSINVSSCD-UHFFFAOYSA-N
XLogP9.34
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 59.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453052
2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453721
2-(9-phenyl-1,2-dihydrocarbazol-3-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167452888
2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453325
10-[4-(9-bromodibenzofuran-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 134595020
2-(4-benzo[c]carbazol-7-ylnaphthalen-1-yl)-5-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454438
5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454078
12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 164714646
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
12-[4-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166917242
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The IUPAC name of 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (CID 167454048) is 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.
What is the SMILES notation for 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The canonical SMILES for 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is c1ccc(-n2c3ccc(C4Nc5c(ccc6oc7ccccc7c56)O4)cc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The InChIKey is FXZXKKSINVSSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O2/c1-2-9-23(10-3-1)37-27-16-15-22(20-26(27)32-24-11-5-4-8-21(24)14-17-28(32)37)35-36-34-31(39-35)19-18-30-33(34)25-12-6-7-13-29(25)38-30/h1-20,35-36H.
What are the key properties of 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole has a molecular weight of 502.57 g/mol, XLogP of 9.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 167454048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).