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

C67H52N2O — CID 153368992

IUPACN-(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
SMILESC=CC1=C(/C=C\C)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6)cc5c34)cc2C1(C)C
InChIInChI=1S/C67H52N2O/c1-7-17-49-51-34-32-47(40-58(51)66(3,4)56(49)8-2)68(48-33-35-52-50-20-12-14-22-57(50)67(5,6)59(52)41-48)62-24-16-25-64-65(62)55-39-45(29-37-63(55)70-64)44-28-36-61-54(38-44)53-21-13-15-23-60(53)69(61)46-30-26-43(27-31-46)42-18-10-9-11-19-42/h7-41H,2H2,1,3-6H3/b17-7-
InChIKeyGYVBGZZXPRBEIB-IDUWFGFVSA-N
MW901.17 g/mol
LogP18.60
Rot. Bonds8

About 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

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 (PubChem CID 153368992) has the molecular formula C67H52N2O and a molecular weight of 901.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID153368992
Molecular FormulaC67H52N2O
Molecular Weight901.17 g/mol
Exact Mass900.41
IUPAC NameN-(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
SMILESC=CC1=C(/C=C\C)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6)cc5c34)cc2C1(C)C
InChIInChI=1S/C67H52N2O/c1-7-17-49-51-34-32-47(40-58(51)66(3,4)56(49)8-2)68(48-33-35-52-50-20-12-14-22-57(50)67(5,6)59(52)41-48)62-24-16-25-64-65(62)55-39-45(29-37-63(55)70-64)44-28-36-61-54(38-44)53-21-13-15-23-60(53)69(61)46-30-26-43(27-31-46)42-18-10-9-11-19-42/h7-41H,2H2,1,3-6H3/b17-7-
InChIKeyGYVBGZZXPRBEIB-IDUWFGFVSA-N
XLogP18.60
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577371
N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine
CID 166997237
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138577333
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-amine
CID 169060930
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159673731
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
CID 138577477
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-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695
N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine;ethane
CID 157195267
N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138577550

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC1=C(/C=C\C)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6)cc5c34)cc2C1(C)C.
What is the InChIKey of 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?
The InChIKey is GYVBGZZXPRBEIB-IDUWFGFVSA-N. The full InChI is InChI=1S/C67H52N2O/c1-7-17-49-51-34-32-47(40-58(51)66(3,4)56(49)8-2)68(48-33-35-52-50-20-12-14-22-57(50)67(5,6)59(52)41-48)62-24-16-25-64-65(62)55-39-45(29-37-63(55)70-64)44-28-36-61-54(38-44)53-21-13-15-23-60(53)69(61)46-30-26-43(27-31-46)42-18-10-9-11-19-42/h7-41H,2H2,1,3-6H3/b17-7-.
What are the key properties of 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?
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 has a molecular weight of 901.17 g/mol, XLogP of 18.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153368992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).