2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole

C50H29N3O2 — CID 168740952

IUPAC2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole
SMILESc1ccc2cc(-c3ccc(-n4c5cc(-c6nc7cc8ccccc8cc7o6)ccc5c5ccc(-c6nc7cc8ccccc8cc7o6)cc54)cc3)ccc2c1
InChIInChI=1S/C50H29N3O2/c1-2-8-32-23-37(14-13-30(32)7-1)31-15-19-40(20-16-31)53-45-26-38(49-51-43-24-33-9-3-5-11-35(33)28-47(43)54-49)17-21-41(45)42-22-18-39(27-46(42)53)50-52-44-25-34-10-4-6-12-36(34)29-48(44)55-50/h1-29H
InChIKeyCIDLWKUMIFKEIU-UHFFFAOYSA-N
MW703.80 g/mol
LogP13.53
Rot. Bonds4

About 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole

2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole (PubChem CID 168740952) has the molecular formula C50H29N3O2 and a molecular weight of 703.80 g/mol. Its IUPAC name is 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole.

Molecular Properties

Compound Name2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole
PubChem CID168740952
Molecular FormulaC50H29N3O2
Molecular Weight703.80 g/mol
Exact Mass703.23
IUPAC Name2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole
SMILESc1ccc2cc(-c3ccc(-n4c5cc(-c6nc7cc8ccccc8cc7o6)ccc5c5ccc(-c6nc7cc8ccccc8cc7o6)cc54)cc3)ccc2c1
InChIInChI=1S/C50H29N3O2/c1-2-8-32-23-37(14-13-30(32)7-1)31-15-19-40(20-16-31)53-45-26-38(49-51-43-24-33-9-3-5-11-35(33)28-47(43)54-49)17-21-41(45)42-22-18-39(27-46(42)53)50-52-44-25-34-10-4-6-12-36(34)29-48(44)55-50/h1-29H
InChIKeyCIDLWKUMIFKEIU-UHFFFAOYSA-N
XLogP13.53
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.80
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(5,6-diphenyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-5,6-diphenyl-1,3-benzoxazole
CID 168740930
6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 168740962
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-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
CID 126702335
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 59228233
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661257
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 59445214

Frequently Asked Questions

What is the IUPAC name of 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole?
The IUPAC name of 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole (CID 168740952) is 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole.
What is the SMILES notation for 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole?
The canonical SMILES for 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole is c1ccc2cc(-c3ccc(-n4c5cc(-c6nc7cc8ccccc8cc7o6)ccc5c5ccc(-c6nc7cc8ccccc8cc7o6)cc54)cc3)ccc2c1.
What is the InChIKey of 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole?
The InChIKey is CIDLWKUMIFKEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N3O2/c1-2-8-32-23-37(14-13-30(32)7-1)31-15-19-40(20-16-31)53-45-26-38(49-51-43-24-33-9-3-5-11-35(33)28-47(43)54-49)17-21-41(45)42-22-18-39(27-46(42)53)50-52-44-25-34-10-4-6-12-36(34)29-48(44)55-50/h1-29H.
What are the key properties of 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole?
2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole has a molecular weight of 703.80 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole is sourced from PubChem (CID 168740952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).