2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole

C45H28N2O — CID 177074713

IUPAC2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C45H28N2O/c1-2-8-32-25-34(18-17-29(32)7-1)37-22-21-35-26-33(19-20-36(35)27-37)30-13-15-31(16-14-30)38-23-24-43-40(28-38)39-9-3-5-11-42(39)47(43)45-46-41-10-4-6-12-44(41)48-45/h1-28H
InChIKeyGFUOIZVKRLUOJF-UHFFFAOYSA-N
MW612.73 g/mol
LogP12.23
Rot. Bonds4

About 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole

2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole (PubChem CID 177074713) has the molecular formula C45H28N2O and a molecular weight of 612.73 g/mol. Its IUPAC name is 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
PubChem CID177074713
Molecular FormulaC45H28N2O
Molecular Weight612.73 g/mol
Exact Mass612.22
IUPAC Name2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C45H28N2O/c1-2-8-32-25-34(18-17-29(32)7-1)37-22-21-35-26-33(19-20-36(35)27-37)30-13-15-31(16-14-30)38-23-24-43-40(28-38)39-9-3-5-11-42(39)47(43)45-46-41-10-4-6-12-44(41)48-45/h1-28H
InChIKeyGFUOIZVKRLUOJF-UHFFFAOYSA-N
XLogP12.23
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole
CID 71182016
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole
CID 146370377
2-[6,9-bis(1,3-benzoxazol-2-yl)carbazol-3-yl]-6-(4-phenylphenyl)-1,3-benzoxazole
CID 155366238
2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167452896
2-(22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-12-yl)-1,3-benzoxazole
CID 118502072
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
12-(1,3-benzoxazol-2-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502783
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole
CID 118503047
2-[4-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59489332

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole?
The IUPAC name of 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole (CID 177074713) is 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole is c1ccc2cc(-c3ccc4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1.
What is the InChIKey of 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole?
The InChIKey is GFUOIZVKRLUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O/c1-2-8-32-25-34(18-17-29(32)7-1)37-22-21-35-26-33(19-20-36(35)27-37)30-13-15-31(16-14-30)38-23-24-43-40(28-38)39-9-3-5-11-42(39)47(43)45-46-41-10-4-6-12-44(41)48-45/h1-28H.
What are the key properties of 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole?
2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole has a molecular weight of 612.73 g/mol, XLogP of 12.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole is sourced from PubChem (CID 177074713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).