6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine

C60H36N2O2 — CID 171754977

IUPAC6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5c(-c6nc7ccccc7o6)cc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C60H36N2O2/c1-2-14-37(15-3-1)38-26-28-40(29-27-38)62(42-30-32-47-46-20-8-11-23-52(46)60(53(47)36-42)50-21-9-6-18-44(50)45-19-7-10-22-51(45)60)41-31-33-55-48(35-41)57-43-17-5-4-16-39(43)34-49(58(57)63-55)59-61-54-24-12-13-25-56(54)64-59/h1-36H
InChIKeyGCPYYAXUBDYZKV-UHFFFAOYSA-N
MW816.96 g/mol
LogP16.03
Rot. Bonds5

About 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine

6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 171754977) has the molecular formula C60H36N2O2 and a molecular weight of 816.96 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID171754977
Molecular FormulaC60H36N2O2
Molecular Weight816.96 g/mol
Exact Mass816.28
IUPAC Name6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5c(-c6nc7ccccc7o6)cc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C60H36N2O2/c1-2-14-37(15-3-1)38-26-28-40(29-27-38)62(42-30-32-47-46-20-8-11-23-52(46)60(53(47)36-42)50-21-9-6-18-44(50)45-19-7-10-22-51(45)60)41-31-33-55-48(35-41)57-43-17-5-4-16-39(43)34-49(58(57)63-55)59-61-54-24-12-13-25-56(54)64-59/h1-36H
InChIKeyGCPYYAXUBDYZKV-UHFFFAOYSA-N
XLogP16.03
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine
CID 171754506
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 155473478
N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
CID 168731622
N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731448
N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731706
N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320690
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
N-(4-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168807492
N-([1]benzofuro[3,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 163417846
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177082126
8-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171755260

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine (CID 171754977) is 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5c(-c6nc7ccccc7o6)cc6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is GCPYYAXUBDYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2/c1-2-14-37(15-3-1)38-26-28-40(29-27-38)62(42-30-32-47-46-20-8-11-23-52(46)60(53(47)36-42)50-21-9-6-18-44(50)45-19-7-10-22-51(45)60)41-31-33-55-48(35-41)57-43-17-5-4-16-39(43)34-49(58(57)63-55)59-61-54-24-12-13-25-56(54)64-59/h1-36H.
What are the key properties of 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine?
6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 816.96 g/mol, XLogP of 16.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 171754977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).