N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine

C57H35NS — CID 168811954

IUPACN-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc3c2-c2ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cc2C32c3ccccc3-c3cccc4cccc2c34)cc1
InChIInChI=1S/C57H35NS/c1-2-14-37(15-3-1)42-23-13-27-50-56(42)47-33-31-39(34-51(47)57(50)48-25-8-6-21-43(48)46-24-10-18-38-19-11-26-49(57)55(38)46)58(52-28-12-17-36-16-4-5-20-41(36)52)40-30-32-45-44-22-7-9-29-53(44)59-54(45)35-40/h1-35H
InChIKeyWERYYSPFLBGXLQ-UHFFFAOYSA-N
MW765.98 g/mol
LogP15.84
Rot. Bonds4

About N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine

N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine (PubChem CID 168811954) has the molecular formula C57H35NS and a molecular weight of 765.98 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine
PubChem CID168811954
Molecular FormulaC57H35NS
Molecular Weight765.98 g/mol
Exact Mass765.25
IUPAC NameN-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc3c2-c2ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cc2C32c3ccccc3-c3cccc4cccc2c34)cc1
InChIInChI=1S/C57H35NS/c1-2-14-37(15-3-1)42-23-13-27-50-56(42)47-33-31-39(34-51(47)57(50)48-25-8-6-21-43(48)46-24-10-18-38-19-11-26-49(57)55(38)46)58(52-28-12-17-36-16-4-5-20-41(36)52)40-30-32-45-44-22-7-9-29-53(44)59-54(45)35-40/h1-35H
InChIKeyWERYYSPFLBGXLQ-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-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164794694
N-naphthalen-1-yl-N-(3-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzothiophen-3-amine
CID 164950058
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794936
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812204
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168790542
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159294805
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293356
2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529814
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794886
N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine
CID 165158322
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine (CID 168811954) is N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine is c1ccc(-c2cccc3c2-c2ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cc2C32c3ccccc3-c3cccc4cccc2c34)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine?
The InChIKey is WERYYSPFLBGXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NS/c1-2-14-37(15-3-1)42-23-13-27-50-56(42)47-33-31-39(34-51(47)57(50)48-25-8-6-21-43(48)46-24-10-18-38-19-11-26-49(57)55(38)46)58(52-28-12-17-36-16-4-5-20-41(36)52)40-30-32-45-44-22-7-9-29-53(44)59-54(45)35-40/h1-35H.
What are the key properties of N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine?
N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-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-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 168811954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).