N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine

C57H35NS — CID 134216000

IUPACN-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3sc4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccc7ccccc7c65)cc4c3c2)cc1
InChIInChI=1S/C57H35NS/c1-2-15-41(16-3-1)58(42-26-22-36-12-4-5-14-38(36)32-42)43-27-31-55-50(35-43)49-34-40(25-30-54(49)59-55)39-24-29-53-48(33-39)46-19-9-11-21-52(46)57(53)51-20-10-8-18-45(51)47-28-23-37-13-6-7-17-44(37)56(47)57/h1-35H
InChIKeyHPLJMTFXTKCUOW-UHFFFAOYSA-N
MW765.98 g/mol
LogP15.84
Rot. Bonds4

About N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine

N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine (PubChem CID 134216000) has the molecular formula C57H35NS and a molecular weight of 765.98 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine
PubChem CID134216000
Molecular FormulaC57H35NS
Molecular Weight765.98 g/mol
Exact Mass765.25
IUPAC NameN-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3sc4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccc7ccccc7c65)cc4c3c2)cc1
InChIInChI=1S/C57H35NS/c1-2-15-41(16-3-1)58(42-26-22-36-12-4-5-14-38(36)32-42)43-27-31-55-50(35-43)49-34-40(25-30-54(49)59-55)39-24-29-53-48(33-39)46-19-9-11-21-52(46)57(53)51-20-10-8-18-45(51)47-28-23-37-13-6-7-17-44(37)56(47)57/h1-35H
InChIKeyHPLJMTFXTKCUOW-UHFFFAOYSA-N
XLogP15.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.98
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 165158458
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766908
N-dibenzothiophen-2-yl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzothiophen-2-amine
CID 138568832
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114073
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-phenanthren-2-yl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-2-amine
CID 130250436
N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 140962656
N-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 118004621
N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114131
N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 138669021
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
N-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309223

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine (CID 134216000) is N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3sc4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccc7ccccc7c65)cc4c3c2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine?
The InChIKey is HPLJMTFXTKCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NS/c1-2-15-41(16-3-1)58(42-26-22-36-12-4-5-14-38(36)32-42)43-27-31-55-50(35-43)49-34-40(25-30-54(49)59-55)39-24-29-53-48(33-39)46-19-9-11-21-52(46)57(53)51-20-10-8-18-45(51)47-28-23-37-13-6-7-17-44(37)56(47)57/h1-35H.
What are the key properties of N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine?
N-naphthalen-2-yl-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine has a molecular weight of 765.98 g/mol, XLogP of 15.84, 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-N-phenyl-8-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yldibenzothiophen-2-amine is sourced from PubChem (CID 134216000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).