N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine

C57H35NO — CID 169280862

IUPACN-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4ccccc4c3)c3ccccc3c3oc4ccccc4c23)cc1
InChIInChI=1S/C57H35NO/c1-2-17-37(18-3-1)53-54-47-25-11-15-29-52(47)59-56(54)46-24-7-6-23-45(46)55(53)58(39-31-30-36-16-4-5-19-38(36)34-39)40-32-33-44-43-22-10-14-28-50(43)57(51(44)35-40)48-26-12-8-20-41(48)42-21-9-13-27-49(42)57/h1-35H
InChIKeyBSZHEWNIVLXVQM-UHFFFAOYSA-N
MW749.91 g/mol
LogP15.37
Rot. Bonds4

About N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine

N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 169280862) has the molecular formula C57H35NO and a molecular weight of 749.91 g/mol. Its IUPAC name is N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID169280862
Molecular FormulaC57H35NO
Molecular Weight749.91 g/mol
Exact Mass749.27
IUPAC NameN-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4ccccc4c3)c3ccccc3c3oc4ccccc4c23)cc1
InChIInChI=1S/C57H35NO/c1-2-17-37(18-3-1)53-54-47-25-11-15-29-52(47)59-56(54)46-24-7-6-23-45(46)55(53)58(39-31-30-36-16-4-5-19-38(36)34-39)40-32-33-44-43-22-10-14-28-50(43)57(51(44)35-40)48-26-12-8-20-41(48)42-21-9-13-27-49(42)57/h1-35H
InChIKeyBSZHEWNIVLXVQM-UHFFFAOYSA-N
XLogP15.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.91
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine
CID 169280318
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 169280861
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383308
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536164
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155304633
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
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
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444490
N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine
CID 176633906
CID 146436698
CID 146436698

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine (CID 169280862) is N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4ccccc4c3)c3ccccc3c3oc4ccccc4c23)cc1.
What is the InChIKey of N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is BSZHEWNIVLXVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NO/c1-2-17-37(18-3-1)53-54-47-25-11-15-29-52(47)59-56(54)46-24-7-6-23-45(46)55(53)58(39-31-30-36-16-4-5-19-38(36)34-39)40-32-33-44-43-22-10-14-28-50(43)57(51(44)35-40)48-26-12-8-20-41(48)42-21-9-13-27-49(42)57/h1-35H.
What are the key properties of N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine?
N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 749.91 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 169280862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).