6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

C50H41N3O2 — CID 168740962

IUPAC6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2nc(-c3ccc4c5ccc(-c6nc7ccc(C(C)(C)C)cc7o6)cc5n(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)oc2c1
InChIInChI=1S/C50H41N3O2/c1-49(2,3)36-17-23-41-45(28-36)54-47(51-41)34-15-21-39-40-22-16-35(48-52-42-24-18-37(50(4,5)6)29-46(42)55-48)27-44(40)53(43(39)26-34)38-19-13-31(14-20-38)33-12-11-30-9-7-8-10-32(30)25-33/h7-29H,1-6H3
InChIKeyBLOHZGZUVMIDMK-UHFFFAOYSA-N
MW715.90 g/mol
LogP13.82
Rot. Bonds4

About 6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (PubChem CID 168740962) has the molecular formula C50H41N3O2 and a molecular weight of 715.90 g/mol. Its IUPAC name is 6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
PubChem CID168740962
Molecular FormulaC50H41N3O2
Molecular Weight715.90 g/mol
Exact Mass715.32
IUPAC Name6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2nc(-c3ccc4c5ccc(-c6nc7ccc(C(C)(C)C)cc7o6)cc5n(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)oc2c1
InChIInChI=1S/C50H41N3O2/c1-49(2,3)36-17-23-41-45(28-36)54-47(51-41)34-15-21-39-40-22-16-35(48-52-42-24-18-37(50(4,5)6)29-46(42)55-48)27-44(40)53(43(39)26-34)38-19-13-31(14-20-38)33-12-11-30-9-7-8-10-32(30)25-33/h7-29H,1-6H3
InChIKeyBLOHZGZUVMIDMK-UHFFFAOYSA-N
XLogP13.82
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-benzo[f][1,3]benzoxazol-2-yl-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]benzo[f][1,3]benzoxazole
CID 168740952
6-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole
CID 59228139
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
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
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-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
6-tert-butyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228286
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
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 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) is 6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is CC(C)(C)c1ccc2nc(-c3ccc4c5ccc(-c6nc7ccc(C(C)(C)C)cc7o6)cc5n(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)oc2c1.
What is the InChIKey of 6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is BLOHZGZUVMIDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N3O2/c1-49(2,3)36-17-23-41-45(28-36)54-47(51-41)34-15-21-39-40-22-16-35(48-52-42-24-18-37(50(4,5)6)29-46(42)55-48)27-44(40)53(43(39)26-34)38-19-13-31(14-20-38)33-12-11-30-9-7-8-10-32(30)25-33/h7-29H,1-6H3.
What are the key properties of 6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 715.90 g/mol, XLogP of 13.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[7-(6-tert-butyl-1,3-benzoxazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 168740962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).