N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine

C53H35NS — CID 168811937

IUPACN-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine
SMILESC1=CC(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cccc4ccc(-c5ccccc5)c2c34)Cc2c1sc1ccccc21
InChIInChI=1S/C53H35NS/c1-3-14-34(15-4-1)39-29-26-35-16-13-22-44-41-20-8-11-24-47(41)53(52(39)51(35)44)46-23-10-7-19-40(46)42-30-27-38(33-48(42)53)54(36-17-5-2-6-18-36)37-28-31-50-45(32-37)43-21-9-12-25-49(43)55-50/h1-31,33,37H,32H2
InChIKeyRHABSKKVRLSFIH-UHFFFAOYSA-N
MW717.94 g/mol
LogP13.84
Rot. Bonds4

About N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine

N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine (PubChem CID 168811937) has the molecular formula C53H35NS and a molecular weight of 717.94 g/mol. Its IUPAC name is N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine
PubChem CID168811937
Molecular FormulaC53H35NS
Molecular Weight717.94 g/mol
Exact Mass717.25
IUPAC NameN-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine
SMILESC1=CC(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cccc4ccc(-c5ccccc5)c2c34)Cc2c1sc1ccccc21
InChIInChI=1S/C53H35NS/c1-3-14-34(15-4-1)39-29-26-35-16-13-22-44-41-20-8-11-24-47(41)53(52(39)51(35)44)46-23-10-7-19-40(46)42-30-27-38(33-48(42)53)54(36-17-5-2-6-18-36)37-28-31-50-45(32-37)43-21-9-12-25-49(43)55-50/h1-31,33,37H,32H2
InChIKeyRHABSKKVRLSFIH-UHFFFAOYSA-N
XLogP13.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.94
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine
CID 168812209
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138
2-N-(4-naphthalen-1-ylphenyl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529809
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766908
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine
CID 168811954
N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812185
N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551386
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583107
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766671
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293356

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine?
The IUPAC name of N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine (CID 168811937) is N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine.
What is the SMILES notation for N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine?
The canonical SMILES for N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine is C1=CC(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cccc4ccc(-c5ccccc5)c2c34)Cc2c1sc1ccccc21.
What is the InChIKey of N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine?
The InChIKey is RHABSKKVRLSFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NS/c1-3-14-34(15-4-1)39-29-26-35-16-13-22-44-41-20-8-11-24-47(41)53(52(39)51(35)44)46-23-10-7-19-40(46)42-30-27-38(33-48(42)53)54(36-17-5-2-6-18-36)37-28-31-50-45(32-37)43-21-9-12-25-49(43)55-50/h1-31,33,37H,32H2.
What are the key properties of N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine?
N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine has a molecular weight of 717.94 g/mol, XLogP of 13.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-1,2-dihydrodibenzothiophen-2-amine is sourced from PubChem (CID 168811937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).