N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine

C61H50N2 — CID 137468978

IUPACN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESC=Cc1c(/C=C\C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C61H50N2/c1-7-16-51-53-38-43(28-36-59(53)63(58(51)8-2)44-17-10-9-11-18-44)41-25-31-46(32-26-41)62(47-33-34-50-48-19-12-14-21-54(48)61(5,6)57(50)39-47)45-29-23-40(24-30-45)42-27-35-56-52(37-42)49-20-13-15-22-55(49)60(56,3)4/h7-39H,2H2,1,3-6H3/b16-7-
InChIKeyWHSSKUSCCZCTLL-APSNUPSMSA-N
MW811.08 g/mol
LogP16.72
Rot. Bonds8

About N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 137468978) has the molecular formula C61H50N2 and a molecular weight of 811.08 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID137468978
Molecular FormulaC61H50N2
Molecular Weight811.08 g/mol
Exact Mass810.40
IUPAC NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESC=Cc1c(/C=C\C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C61H50N2/c1-7-16-51-53-38-43(28-36-59(53)63(58(51)8-2)44-17-10-9-11-18-44)41-25-31-46(32-26-41)62(47-33-34-50-48-19-12-14-21-54(48)61(5,6)57(50)39-47)45-29-23-40(24-30-45)42-27-35-56-52(37-42)49-20-13-15-22-55(49)60(56,3)4/h7-39H,2H2,1,3-6H3/b16-7-
InChIKeyWHSSKUSCCZCTLL-APSNUPSMSA-N
XLogP16.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.08
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-[2-ethenyl-1-(3-methylphenyl)-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118487124
ethane;7-(N-[4-[2-ethenyl-1-(4-methylphenyl)-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-4-phenylanilino)-9,9-dimethylfluorene-3-carbaldehyde
CID 145019798
9,9-dimethyl-N-[4-[3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-N-phenylfluoren-2-amine
CID 139334521
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde
CID 90164145
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118879563
N-(9,9-dimethylfluoren-2-yl)-6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-N-(4-ethenylphenyl)-9-phenylcarbazol-3-amine;N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-9-pyridin-4-ylcarbazol-3-yl]-9-pyridin-4-ylcarbazol-3-yl]phenyl]-N-[4-(4-ethenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 162049366
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine (CID 137468978) is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine is C=Cc1c(/C=C\C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc2n1-c1ccccc1.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is WHSSKUSCCZCTLL-APSNUPSMSA-N. The full InChI is InChI=1S/C61H50N2/c1-7-16-51-53-38-43(28-36-59(53)63(58(51)8-2)44-17-10-9-11-18-44)41-25-31-46(32-26-41)62(47-33-34-50-48-19-12-14-21-54(48)61(5,6)57(50)39-47)45-29-23-40(24-30-45)42-27-35-56-52(37-42)49-20-13-15-22-55(49)60(56,3)4/h7-39H,2H2,1,3-6H3/b16-7-.
What are the key properties of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 811.08 g/mol, XLogP of 16.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 137468978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).