N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine

C68H46N2S — CID 155138188

IUPACN-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine
SMILESC=CC1=C(/C=C\C)c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C68H46N2S/c1-3-19-49-52-40-39-48(43-62(52)68(59(49)4-2)60-29-13-8-22-50(60)51-23-9-14-30-61(51)68)69(63-31-15-10-24-53(63)56-27-18-28-57-55-26-12-17-33-66(55)71-67(56)57)47-37-34-44(35-38-47)45-36-41-65-58(42-45)54-25-11-16-32-64(54)70(65)46-20-6-5-7-21-46/h3-43H,2H2,1H3/b19-3-
InChIKeyBMKVCUJYIGSWRL-OQOIWIOPSA-N
MW923.20 g/mol
LogP18.80
Rot. Bonds8

About N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine

N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine (PubChem CID 155138188) has the molecular formula C68H46N2S and a molecular weight of 923.20 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine
PubChem CID155138188
Molecular FormulaC68H46N2S
Molecular Weight923.20 g/mol
Exact Mass922.34
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine
SMILESC=CC1=C(/C=C\C)c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C68H46N2S/c1-3-19-49-52-40-39-48(43-62(52)68(59(49)4-2)60-29-13-8-22-50(60)51-23-9-14-30-61(51)68)69(63-31-15-10-24-53(63)56-27-18-28-57-55-26-12-17-33-66(55)71-67(56)57)47-37-34-44(35-38-47)45-36-41-65-58(42-45)54-25-11-16-32-64(54)70(65)46-20-6-5-7-21-46/h3-43H,2H2,1H3/b19-3-
InChIKeyBMKVCUJYIGSWRL-OQOIWIOPSA-N
XLogP18.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.20
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 167024948
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
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
N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118086603
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170111185
N-(9,9-dimethylfluoren-2-yl)-N-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-8-[9-(4-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 153368992
2-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine;2-N,2-N'-di(dibenzothiophen-4-yl)-2-N,2-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine;N,N-diphenyl-2-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine;N,4-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-yl]phenyl]aniline;2-N,2-N,2-N'-triphenyl-2-N'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine
CID 158941392
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160959484
N,9,9-triphenyl-N-[2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 118462520
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine (CID 155138188) is N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine is C=CC1=C(/C=C\C)c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine?
The InChIKey is BMKVCUJYIGSWRL-OQOIWIOPSA-N. The full InChI is InChI=1S/C68H46N2S/c1-3-19-49-52-40-39-48(43-62(52)68(59(49)4-2)60-29-13-8-22-50(60)51-23-9-14-30-61(51)68)69(63-31-15-10-24-53(63)56-27-18-28-57-55-26-12-17-33-66(55)71-67(56)57)47-37-34-44(35-38-47)45-36-41-65-58(42-45)54-25-11-16-32-64(54)70(65)46-20-6-5-7-21-46/h3-43H,2H2,1H3/b19-3-.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine?
N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine has a molecular weight of 923.20 g/mol, XLogP of 18.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-5'-amine is sourced from PubChem (CID 155138188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).