2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole

C39H24N2O2 — CID 171754336

IUPAC2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole
SMILESc1cc(Oc2ccc(-n3c4ccccc4c4cc5ccccc5cc43)c3ccccc23)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C39H24N2O2/c1-2-11-26-24-36-32(23-25(26)10-1)30-15-5-7-18-34(30)41(36)35-20-21-37(31-16-4-3-14-29(31)35)42-28-13-9-12-27(22-28)39-40-33-17-6-8-19-38(33)43-39/h1-24H
InChIKeyRVEKJSQRCALGDU-UHFFFAOYSA-N
MW552.63 g/mol
LogP10.69
Rot. Bonds4

About 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole

2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole (PubChem CID 171754336) has the molecular formula C39H24N2O2 and a molecular weight of 552.63 g/mol. Its IUPAC name is 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole
PubChem CID171754336
Molecular FormulaC39H24N2O2
Molecular Weight552.63 g/mol
Exact Mass552.18
IUPAC Name2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole
SMILESc1cc(Oc2ccc(-n3c4ccccc4c4cc5ccccc5cc43)c3ccccc23)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C39H24N2O2/c1-2-11-26-24-36-32(23-25(26)10-1)30-15-5-7-18-34(30)41(36)35-20-21-37(31-16-4-3-14-29(31)35)42-28-13-9-12-27(22-28)39-40-33-17-6-8-19-38(33)43-39/h1-24H
InChIKeyRVEKJSQRCALGDU-UHFFFAOYSA-N
XLogP10.69
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole
CID 171754651
2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole
CID 46187140
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661248
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole
CID 163761982
2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylnaphthalen-2-yl)carbazol-3-yl]-1,3-benzoxazole
CID 155366220
4-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]naphthalen-1-yl]benzonitrile
CID 171431310
2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 149472861
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole (CID 171754336) is 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole is c1cc(Oc2ccc(-n3c4ccccc4c4cc5ccccc5cc43)c3ccccc23)cc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole?
The InChIKey is RVEKJSQRCALGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2O2/c1-2-11-26-24-36-32(23-25(26)10-1)30-15-5-7-18-34(30)41(36)35-20-21-37(31-16-4-3-14-29(31)35)42-28-13-9-12-27(22-28)39-40-33-17-6-8-19-38(33)43-39/h1-24H.
What are the key properties of 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole?
2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole has a molecular weight of 552.63 g/mol, XLogP of 10.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole is sourced from PubChem (CID 171754336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).