N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C67H42N2S — CID 118086604

IUPACN-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5sc6ccccc6c45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C67H42N2S/c1-2-16-43(17-3-1)44-32-35-47(36-33-44)68(49-37-38-53-52-22-6-11-27-59(52)67(60(53)42-49)57-25-9-4-20-50(57)51-21-5-10-26-58(51)67)48-19-14-18-45(40-48)46-34-39-62-56(41-46)54-23-7-12-28-61(54)69(62)63-29-15-31-65-66(63)55-24-8-13-30-64(55)70-65/h1-42H
InChIKeyJQCVTKBDSBIOGB-UHFFFAOYSA-N
MW907.15 g/mol
LogP18.30
Rot. Bonds6

About N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118086604) has the molecular formula C67H42N2S and a molecular weight of 907.15 g/mol. Its IUPAC name is N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID118086604
Molecular FormulaC67H42N2S
Molecular Weight907.15 g/mol
Exact Mass906.31
IUPAC NameN-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5sc6ccccc6c45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C67H42N2S/c1-2-16-43(17-3-1)44-32-35-47(36-33-44)68(49-37-38-53-52-22-6-11-27-59(52)67(60(53)42-49)57-25-9-4-20-50(57)51-21-5-10-26-58(51)67)48-19-14-18-45(40-48)46-34-39-62-56(41-46)54-23-7-12-28-61(54)69(62)63-29-15-31-65-66(63)55-24-8-13-30-64(55)70-65/h1-42H
InChIKeyJQCVTKBDSBIOGB-UHFFFAOYSA-N
XLogP18.30
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.15
LogP ≤ 518.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118462505
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 164794351
N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 142391304
9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 90371969
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166473
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794224
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122414007
N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118086603
5-(3-dibenzothiophen-2-ylphenyl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-3-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 134471524

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 118086604) is N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5sc6ccccc6c45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is JQCVTKBDSBIOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2S/c1-2-16-43(17-3-1)44-32-35-47(36-33-44)68(49-37-38-53-52-22-6-11-27-59(52)67(60(53)42-49)57-25-9-4-20-50(57)51-21-5-10-26-58(51)67)48-19-14-18-45(40-48)46-34-39-62-56(41-46)54-23-7-12-28-61(54)69(62)63-29-15-31-65-66(63)55-24-8-13-30-64(55)70-65/h1-42H.
What are the key properties of N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 907.15 g/mol, XLogP of 18.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118086604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).