N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C67H51NO — CID 155087117

IUPACN-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(COc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)cc2)cc1
InChIInChI=1S/C67H51NO/c1-4-46-23-25-47(26-24-46)45-69-57-39-32-53(33-40-57)67(52-17-9-6-10-18-52)63-22-14-12-20-59(63)61-41-31-51(43-65(61)67)50-29-36-55(37-30-50)68(54-34-27-49(28-35-54)48-15-7-5-8-16-48)56-38-42-60-58-19-11-13-21-62(58)66(2,3)64(60)44-56/h4-44H,1,45H2,2-3H3
InChIKeyKAPQPDPXFRSWGT-UHFFFAOYSA-N
MW886.15 g/mol
LogP17.38
Rot. Bonds11

About N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155087117) has the molecular formula C67H51NO and a molecular weight of 886.15 g/mol. Its IUPAC name is N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID155087117
Molecular FormulaC67H51NO
Molecular Weight886.15 g/mol
Exact Mass885.40
IUPAC NameN-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(COc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)cc2)cc1
InChIInChI=1S/C67H51NO/c1-4-46-23-25-47(26-24-46)45-69-57-39-32-53(33-40-57)67(52-17-9-6-10-18-52)63-22-14-12-20-59(63)61-41-31-51(43-65(61)67)50-29-36-55(37-30-50)68(54-34-27-49(28-35-54)48-15-7-5-8-16-48)56-38-42-60-58-19-11-13-21-62(58)66(2,3)64(60)44-56/h4-44H,1,45H2,2-3H3
InChIKeyKAPQPDPXFRSWGT-UHFFFAOYSA-N
XLogP17.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.15
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[(4-ethenylphenyl)methoxy]phenyl]-N-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9-(4-fluorophenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167160971
9-[4-[(4-ethenylphenyl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-(4-methoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-ethylphenyl)-N-phenylfluoren-2-amine
CID 162040719
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[4-[4-(N-[7,9-diphenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N,7,9-triphenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[9-phenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 159808152
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 172546940
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541545
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146386855
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154608860
1-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N-bis[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 146388695

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155087117) is N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(COc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)cc2)cc1.
What is the InChIKey of N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is KAPQPDPXFRSWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51NO/c1-4-46-23-25-47(26-24-46)45-69-57-39-32-53(33-40-57)67(52-17-9-6-10-18-52)63-22-14-12-20-59(63)61-41-31-51(43-65(61)67)50-29-36-55(37-30-50)68(54-34-27-49(28-35-54)48-15-7-5-8-16-48)56-38-42-60-58-19-11-13-21-62(58)66(2,3)64(60)44-56/h4-44H,1,45H2,2-3H3.
What are the key properties of N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 886.15 g/mol, XLogP of 17.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155087117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).