11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine

C60H36N2O2 — CID 171754506

IUPAC11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4oc5cc6ccccc6c(-c6nc7ccccc7o6)c5c4c3)cc2)cc1
InChIInChI=1S/C60H36N2O2/c1-2-14-37(15-3-1)38-26-28-40(29-27-38)62(41-30-32-52-47(35-41)46-20-8-11-23-51(46)60(52)49-21-9-6-18-44(49)45-19-7-10-22-50(45)60)42-31-33-54-48(36-42)57-56(63-54)34-39-16-4-5-17-43(39)58(57)59-61-53-24-12-13-25-55(53)64-59/h1-36H
InChIKeyBRBHCACXTFADEV-UHFFFAOYSA-N
MW816.96 g/mol
LogP16.03
Rot. Bonds5

About 11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine

11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 171754506) has the molecular formula C60H36N2O2 and a molecular weight of 816.96 g/mol. Its IUPAC name is 11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound Name11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID171754506
Molecular FormulaC60H36N2O2
Molecular Weight816.96 g/mol
Exact Mass816.28
IUPAC Name11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4oc5cc6ccccc6c(-c6nc7ccccc7o6)c5c4c3)cc2)cc1
InChIInChI=1S/C60H36N2O2/c1-2-14-37(15-3-1)38-26-28-40(29-27-38)62(41-30-32-52-47(35-41)46-20-8-11-23-51(46)60(52)49-21-9-6-18-44(49)45-19-7-10-22-50(45)60)42-31-33-54-48(36-42)57-56(63-54)34-39-16-4-5-17-43(39)58(57)59-61-53-24-12-13-25-55(53)64-59/h1-36H
InChIKeyBRBHCACXTFADEV-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

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
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463127
12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine
CID 171402026
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401543
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 171755092
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730958
N-(9,9-diphenylfluoren-3-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779664
N-phenyl-N-(4-phenylphenyl)-8-spiro[benzo[g]fluorene-7,9'-fluorene]-9-yldibenzofuran-2-amine
CID 135299719
N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline
CID 171754984
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195

Frequently Asked Questions

What is the IUPAC name of 11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of 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) is 11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for 11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for 11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4oc5cc6ccccc6c(-c6nc7ccccc7o6)c5c4c3)cc2)cc1.
What is the InChIKey of 11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is BRBHCACXTFADEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2/c1-2-14-37(15-3-1)38-26-28-40(29-27-38)62(41-30-32-52-47(35-41)46-20-8-11-23-51(46)60(52)49-21-9-6-18-44(49)45-19-7-10-22-50(45)60)42-31-33-54-48(36-42)57-56(63-54)34-39-16-4-5-17-43(39)58(57)59-61-53-24-12-13-25-55(53)64-59/h1-36H.
What are the key properties of 11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine?
11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-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 11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 171754506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).