2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole

C37H22N2O2 — CID 167452861

IUPAC2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6ccc7oc8ccccc8c7c6o5)cc4)ccc32)cc1
InChIInChI=1S/C37H22N2O2/c1-2-8-26(9-3-1)39-31-12-6-4-10-27(31)29-22-25(18-20-32(29)39)23-14-16-24(17-15-23)37-38-30-19-21-34-35(36(30)41-37)28-11-5-7-13-33(28)40-34/h1-22H
InChIKeyDKOAQCIVULYAMV-UHFFFAOYSA-N
MW526.60 g/mol
LogP10.16
Rot. Bonds3

About 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole

2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 167452861) has the molecular formula C37H22N2O2 and a molecular weight of 526.60 g/mol. Its IUPAC name is 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID167452861
Molecular FormulaC37H22N2O2
Molecular Weight526.60 g/mol
Exact Mass526.17
IUPAC Name2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6ccc7oc8ccccc8c7c6o5)cc4)ccc32)cc1
InChIInChI=1S/C37H22N2O2/c1-2-8-26(9-3-1)39-31-12-6-4-10-27(31)29-22-25(18-20-32(29)39)23-14-16-24(17-15-23)37-38-30-19-21-34-35(36(30)41-37)28-11-5-7-13-33(28)40-34/h1-22H
InChIKeyDKOAQCIVULYAMV-UHFFFAOYSA-N
XLogP10.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 174338571
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167453652
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
2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167454422
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228064

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 167452861) is 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6ccc7oc8ccccc8c7c6o5)cc4)ccc32)cc1.
What is the InChIKey of 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is DKOAQCIVULYAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O2/c1-2-8-26(9-3-1)39-31-12-6-4-10-27(31)29-22-25(18-20-32(29)39)23-14-16-24(17-15-23)37-38-30-19-21-34-35(36(30)41-37)28-11-5-7-13-33(28)40-34/h1-22H.
What are the key properties of 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 526.60 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167452861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).