N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine

C53H33NOS — CID 171766773

IUPACN-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc5ccccc5cc3-4)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C53H33NOS/c1-2-12-34(13-3-1)35-22-24-38(25-23-35)54(39-27-29-52-44(32-39)42-16-6-11-21-51(42)56-52)40-26-28-41-43-30-36-14-4-5-15-37(36)31-47(43)53(48(41)33-40)45-17-7-9-19-49(45)55-50-20-10-8-18-46(50)53/h1-33H
InChIKeyPTISLLDTWNZHAQ-UHFFFAOYSA-N
MW731.92 g/mol
LogP14.81
Rot. Bonds4

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

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine (PubChem CID 171766773) has the molecular formula C53H33NOS and a molecular weight of 731.92 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine
PubChem CID171766773
Molecular FormulaC53H33NOS
Molecular Weight731.92 g/mol
Exact Mass731.23
IUPAC NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc5ccccc5cc3-4)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C53H33NOS/c1-2-12-34(13-3-1)35-22-24-38(25-23-35)54(39-27-29-52-44(32-39)42-16-6-11-21-51(42)56-52)40-26-28-41-43-30-36-14-4-5-15-37(36)31-47(43)53(48(41)33-40)45-17-7-9-19-49(45)55-50-20-10-8-18-46(50)53/h1-33H
InChIKeyPTISLLDTWNZHAQ-UHFFFAOYSA-N
XLogP14.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.92
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114073
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167177645
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477727
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114131
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477752
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
11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 118145968
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
N-(4-phenylphenyl)-N-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'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130462533
N-naphtho[2,3-b][1]benzothiol-3-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-amine
CID 169305220

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine (CID 171766773) is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc5ccccc5cc3-4)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine?
The InChIKey is PTISLLDTWNZHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NOS/c1-2-12-34(13-3-1)35-22-24-38(25-23-35)54(39-27-29-52-44(32-39)42-16-6-11-21-51(42)56-52)40-26-28-41-43-30-36-14-4-5-15-37(36)31-47(43)53(48(41)33-40)45-17-7-9-19-49(45)55-50-20-10-8-18-46(50)53/h1-33H.
What are the key properties of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine?
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine has a molecular weight of 731.92 g/mol, XLogP of 14.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine is sourced from PubChem (CID 171766773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).