N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine

C53H35NS — CID 145137957

IUPACN-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine
SMILESC1=CC2Sc3c(cccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)C2C=C1
InChIInChI=1S/C53H35NS/c1-2-13-34(14-3-1)35-25-27-38(28-26-35)54(50-23-12-20-44-43-19-8-11-24-51(43)55-52(44)50)39-29-30-42-40-17-6-9-21-46(40)53(49(42)33-39)47-22-10-7-18-41(47)45-31-36-15-4-5-16-37(36)32-48(45)53/h1-33,43,51H
InChIKeyMEHDYGQMXWTOBF-UHFFFAOYSA-N
MW717.94 g/mol
LogP14.00
Rot. Bonds4

About N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine

N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine (PubChem CID 145137957) has the molecular formula C53H35NS and a molecular weight of 717.94 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine
PubChem CID145137957
Molecular FormulaC53H35NS
Molecular Weight717.94 g/mol
Exact Mass717.25
IUPAC NameN-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine
SMILESC1=CC2Sc3c(cccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)C2C=C1
InChIInChI=1S/C53H35NS/c1-2-13-34(14-3-1)35-25-27-38(28-26-35)54(50-23-12-20-44-43-19-8-11-24-51(43)55-52(44)50)39-29-30-42-40-17-6-9-21-46(40)53(49(42)33-39)47-22-10-7-18-41(47)45-31-36-15-4-5-16-37(36)32-48(45)53/h1-33,43,51H
InChIKeyMEHDYGQMXWTOBF-UHFFFAOYSA-N
XLogP14.00
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 ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine
CID 174199386
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N,N-bis(2-phenylphenyl)spiro[benzo[b]fluorene-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;N,N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-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;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-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;N-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-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 160804380
N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine
CID 135277465
N-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-7-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
CID 142294432
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine?
The IUPAC name of N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine (CID 145137957) is N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine is C1=CC2Sc3c(cccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)C2C=C1.
What is the InChIKey of N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine?
The InChIKey is MEHDYGQMXWTOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NS/c1-2-13-34(14-3-1)35-25-27-38(28-26-35)54(50-23-12-20-44-43-19-8-11-24-51(43)55-52(44)50)39-29-30-42-40-17-6-9-21-46(40)53(49(42)33-39)47-22-10-7-18-41(47)45-31-36-15-4-5-16-37(36)32-48(45)53/h1-33,43,51H.
What are the key properties of N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine?
N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine has a molecular weight of 717.94 g/mol, XLogP of 14.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-5a,9a-dihydrodibenzothiophen-4-amine is sourced from PubChem (CID 145137957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).