3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine

C85H52ClN3O2S — CID 162163748

IUPAC3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine
SMILESClc1ccc2c(c1)Oc1ccccc1C21c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)cc2-c2cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4sc5ccccc5c4c3-c3ccccc3)ccc21
InChIInChI=1S/C85H52ClN3O2S/c86-55-37-41-73-79(47-55)90-78-35-19-16-32-72(78)85(73)70-42-38-58(87(56-25-9-3-10-26-56)61-51-65(53-21-5-1-6-22-53)84-69(52-61)63-30-14-18-34-77(63)91-84)48-66(70)67-49-59(39-43-71(67)85)88(60-40-44-75-68(50-60)62-29-13-17-33-74(62)89(75)57-27-11-4-12-28-57)76-45-46-81-83(64-31-15-20-36-80(64)92-81)82(76)54-23-7-2-8-24-54/h1-52H
InChIKeyJUGABZDMEBDUKT-UHFFFAOYSA-N
MW1214.89 g/mol
LogP24.45
Rot. Bonds9

About 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine

3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine (PubChem CID 162163748) has the molecular formula C85H52ClN3O2S and a molecular weight of 1214.89 g/mol. Its IUPAC name is 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine.

Molecular Properties

Compound Name3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine
PubChem CID162163748
Molecular FormulaC85H52ClN3O2S
Molecular Weight1214.89 g/mol
Exact Mass1213.35
IUPAC Name3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine
SMILESClc1ccc2c(c1)Oc1ccccc1C21c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)cc2-c2cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4sc5ccccc5c4c3-c3ccccc3)ccc21
InChIInChI=1S/C85H52ClN3O2S/c86-55-37-41-73-79(47-55)90-78-35-19-16-32-72(78)85(73)70-42-38-58(87(56-25-9-3-10-26-56)61-51-65(53-21-5-1-6-22-53)84-69(52-61)63-30-14-18-34-77(63)91-84)48-66(70)67-49-59(39-43-71(67)85)88(60-40-44-75-68(50-60)62-29-13-17-33-74(62)89(75)57-27-11-4-12-28-57)76-45-46-81-83(64-31-15-20-36-80(64)92-81)82(76)54-23-7-2-8-24-54/h1-52H
InChIKeyJUGABZDMEBDUKT-UHFFFAOYSA-N
XLogP24.45
TPSA33.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001214.89
LogP ≤ 524.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine with MolForge

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Related Compounds

3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine
CID 159127747
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-diphenyldibenzofuran-2-amine;N,N-diphenyl-4-(9-phenylcarbazol-3-yl)dibenzofuran-2-amine
CID 159548783
N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine
CID 122462840
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)carbazol-3-amine
CID 161326780
4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 157317225
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-amine
CID 170119076
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 157185893
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042216
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666332
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine;N-dibenzothiophen-4-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 164954606
N,N-diphenyl-1-[4-(N-spiro[fluorene-9,9'-thioxanthene]-3-ylanilino)phenyl]dibenzofuran-3-amine;N-phenyl-N-[2-[3-(N-phenylanilino)phenyl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-2'-amine;N-phenyl-1-[4-(N-phenylanilino)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-2-amine
CID 159486700

Frequently Asked Questions

What is the IUPAC name of 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine?
The IUPAC name of 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine (CID 162163748) is 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine.
What is the SMILES notation for 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine?
The canonical SMILES for 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine is Clc1ccc2c(c1)Oc1ccccc1C21c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)cc2-c2cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4sc5ccccc5c4c3-c3ccccc3)ccc21.
What is the InChIKey of 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine?
The InChIKey is JUGABZDMEBDUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52ClN3O2S/c86-55-37-41-73-79(47-55)90-78-35-19-16-32-72(78)85(73)70-42-38-58(87(56-25-9-3-10-26-56)61-51-65(53-21-5-1-6-22-53)84-69(52-61)63-30-14-18-34-77(63)91-84)48-66(70)67-49-59(39-43-71(67)85)88(60-40-44-75-68(50-60)62-29-13-17-33-74(62)89(75)57-27-11-4-12-28-57)76-45-46-81-83(64-31-15-20-36-80(64)92-81)82(76)54-23-7-2-8-24-54/h1-52H.
What are the key properties of 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine?
3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine has a molecular weight of 1214.89 g/mol, XLogP of 24.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine is sourced from PubChem (CID 162163748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).