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

C67H42N2S — CID 118086603

IUPACN-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C67H42N2S/c1-2-19-44(20-3-1)68(45-38-39-51-50-25-8-14-32-59(50)67(60(51)42-45)57-30-12-6-23-48(57)49-24-7-13-31-58(49)67)61-33-15-9-26-52(61)47-22-5-4-21-46(47)43-37-40-63-56(41-43)53-27-10-16-34-62(53)69(63)64-35-18-29-55-54-28-11-17-36-65(54)70-66(55)64/h1-42H
InChIKeyCYIYIVMFRHZDGW-UHFFFAOYSA-N
MW907.15 g/mol
LogP18.30
Rot. Bonds6

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

N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118086603) has the molecular formula C67H42N2S and a molecular weight of 907.15 g/mol. Its IUPAC name is N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID118086603
Molecular FormulaC67H42N2S
Molecular Weight907.15 g/mol
Exact Mass906.31
IUPAC NameN-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C67H42N2S/c1-2-19-44(20-3-1)68(45-38-39-51-50-25-8-14-32-59(50)67(60(51)42-45)57-30-12-6-23-48(57)49-24-7-13-31-58(49)67)61-33-15-9-26-52(61)47-22-5-4-21-46(47)43-37-40-63-56(41-43)53-27-10-16-34-62(53)69(63)64-35-18-29-55-54-28-11-17-36-65(54)70-66(55)64/h1-42H
InChIKeyCYIYIVMFRHZDGW-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

N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118462505
4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086505
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-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 135166419
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118086604
2',7'-ditert-butyl-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170113057
N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline
CID 144844352
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789441
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 167177216
N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-4-amine;N-(2,4-diphenylphenyl)-N-phenylphenanthren-4-amine;N-phenanthren-4-yl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158853787

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 118086603) is N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is CYIYIVMFRHZDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2S/c1-2-19-44(20-3-1)68(45-38-39-51-50-25-8-14-32-59(50)67(60(51)42-45)57-30-12-6-23-48(57)49-24-7-13-31-58(49)67)61-33-15-9-26-52(61)47-22-5-4-21-46(47)43-37-40-63-56(41-43)53-27-10-16-34-62(53)69(63)64-35-18-29-55-54-28-11-17-36-65(54)70-66(55)64/h1-42H.
What are the key properties of N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-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-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118086603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).