N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

C195H119N3S3 — CID 159587313

IUPACN-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)sc2ccccc23)c1.c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c4ccccc4c4ccccc4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/2C67H41NS.C61H37NS/c1-2-18-51-49(16-1)50-17-3-4-19-52(50)59-40-47(33-36-53(51)59)68(46-31-28-42(29-32-46)43-14-13-15-44(38-43)45-30-35-58-57-23-8-12-27-65(57)69-66(58)39-45)48-34-37-64-60(41-48)56-22-7-11-26-63(56)67(64)61-24-9-5-20-54(61)55-21-6-10-25-62(55)67;1-2-15-51-49(13-1)50-14-3-4-16-52(50)59-40-47(34-37-53(51)59)68(46-32-29-43(30-33-46)42-25-27-44(28-26-42)45-31-36-58-57-20-8-12-24-65(57)69-66(58)39-45)48-35-38-64-60(41-48)56-19-7-11-23-63(56)67(64)61-21-9-5-17-54(61)55-18-6-10-22-62(55)67;1-2-18-44-42(16-1)43-17-3-4-19-45(43)51-36-39(30-32-46(44)51)62(58-27-13-8-15-41(58)38-29-34-60-53(35-38)50-23-9-14-28-59(50)63-60)40-31-33-57-52(37-40)49-22-7-12-26-56(49)61(57)54-24-10-5-20-47(54)48-21-6-11-25-55(48)61/h2*1-41H;1-37H
InChIKeyMJUAMLJCCDOLBZ-UHFFFAOYSA-N
MW2600.32 g/mol
LogP54.32
Rot. Bonds14

About N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (PubChem CID 159587313) has the molecular formula C195H119N3S3 and a molecular weight of 2600.32 g/mol. Its IUPAC name is N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
PubChem CID159587313
Molecular FormulaC195H119N3S3
Molecular Weight2600.32 g/mol
Exact Mass2597.86
IUPAC NameN-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)sc2ccccc23)c1.c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c4ccccc4c4ccccc4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/2C67H41NS.C61H37NS/c1-2-18-51-49(16-1)50-17-3-4-19-52(50)59-40-47(33-36-53(51)59)68(46-31-28-42(29-32-46)43-14-13-15-44(38-43)45-30-35-58-57-23-8-12-27-65(57)69-66(58)39-45)48-34-37-64-60(41-48)56-22-7-11-26-63(56)67(64)61-24-9-5-20-54(61)55-21-6-10-25-62(55)67;1-2-15-51-49(13-1)50-14-3-4-16-52(50)59-40-47(34-37-53(51)59)68(46-32-29-43(30-33-46)42-25-27-44(28-26-42)45-31-36-58-57-20-8-12-24-65(57)69-66(58)39-45)48-35-38-64-60(41-48)56-19-7-11-23-63(56)67(64)61-21-9-5-17-54(61)55-18-6-10-22-62(55)67;1-2-18-44-42(16-1)43-17-3-4-19-45(43)51-36-39(30-32-46(44)51)62(58-27-13-8-15-41(58)38-29-34-60-53(35-38)50-23-9-14-28-59(50)63-60)40-31-33-57-52(37-40)49-22-7-12-26-56(49)61(57)54-24-10-5-20-47(54)48-21-6-11-25-55(48)61/h2*1-41H;1-37H
InChIKeyMJUAMLJCCDOLBZ-UHFFFAOYSA-N
XLogP54.32
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms201
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002600.32
LogP ≤ 554.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine with MolForge

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Related Compounds

N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308649
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308714
N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308639
N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 168839739
3'-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729582
N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 167176838
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167177645
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177911
N-(2-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308789

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (CID 159587313) is N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is c1cc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)sc2ccccc23)c1.c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c4ccccc4c4ccccc4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)ccc21.
What is the InChIKey of N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is MJUAMLJCCDOLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C67H41NS.C61H37NS/c1-2-18-51-49(16-1)50-17-3-4-19-52(50)59-40-47(33-36-53(51)59)68(46-31-28-42(29-32-46)43-14-13-15-44(38-43)45-30-35-58-57-23-8-12-27-65(57)69-66(58)39-45)48-34-37-64-60(41-48)56-22-7-11-26-63(56)67(64)61-24-9-5-20-54(61)55-21-6-10-25-62(55)67;1-2-15-51-49(13-1)50-14-3-4-16-52(50)59-40-47(34-37-53(51)59)68(46-32-29-43(30-33-46)42-25-27-44(28-26-42)45-31-36-58-57-20-8-12-24-65(57)69-66(58)39-45)48-35-38-64-60(41-48)56-19-7-11-23-63(56)67(64)61-21-9-5-17-54(61)55-18-6-10-22-62(55)67;1-2-18-44-42(16-1)43-17-3-4-19-45(43)51-36-39(30-32-46(44)51)62(58-27-13-8-15-41(58)38-29-34-60-53(35-38)50-23-9-14-28-59(50)63-60)40-31-33-57-52(37-40)49-22-7-12-26-56(49)61(57)54-24-10-5-20-47(54)48-21-6-11-25-55(48)61/h2*1-41H;1-37H.
What are the key properties of N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 2600.32 g/mol, XLogP of 54.32, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 159587313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).