N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

C75H51NO — CID 166647163

IUPACN-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc(C3(c4ccc5ccccc5c4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C75H51NO/c1-73(2)61-29-13-12-28-60(61)72-68(73)45-53(74(52-39-36-49-22-6-7-23-51(49)44-52)62-30-14-8-24-56(62)57-25-9-15-31-63(57)74)46-69(72)76(54-40-37-50(38-41-54)48-20-4-3-5-21-48)55-42-43-71-67(47-55)75(66-34-18-19-35-70(66)77-71)64-32-16-10-26-58(64)59-27-11-17-33-65(59)75/h3-47H,1-2H3
InChIKeyDKOFTGQMAFEESH-UHFFFAOYSA-N
MW982.24 g/mol
LogP19.11
Rot. Bonds6

About N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 166647163) has the molecular formula C75H51NO and a molecular weight of 982.24 g/mol. Its IUPAC name is N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID166647163
Molecular FormulaC75H51NO
Molecular Weight982.24 g/mol
Exact Mass981.40
IUPAC NameN-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc(C3(c4ccc5ccccc5c4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C75H51NO/c1-73(2)61-29-13-12-28-60(61)72-68(73)45-53(74(52-39-36-49-22-6-7-23-51(49)44-52)62-30-14-8-24-56(62)57-25-9-15-31-63(57)74)46-69(72)76(54-40-37-50(38-41-54)48-20-4-3-5-21-48)55-42-43-71-67(47-55)75(66-34-18-19-35-70(66)77-71)64-32-16-10-26-58(64)59-27-11-17-33-65(59)75/h3-47H,1-2H3
InChIKeyDKOFTGQMAFEESH-UHFFFAOYSA-N
XLogP19.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.24
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-naphthalen-2-yl-9,9-diphenyl-N-(4-phenylphenyl)xanthen-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 161132857
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167232104
N,N-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-1-amine;N-(9,9-dimethylfluoren-2-yl)-4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine;N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 158323692
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 121391814
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine
CID 138477387
4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 167176702
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
CID 164730939
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 167177926
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 138477297

Frequently Asked Questions

What is the IUPAC name of N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (CID 166647163) is N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc(C3(c4ccc5ccccc5c4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is DKOFTGQMAFEESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51NO/c1-73(2)61-29-13-12-28-60(61)72-68(73)45-53(74(52-39-36-49-22-6-7-23-51(49)44-52)62-30-14-8-24-56(62)57-25-9-15-31-63(57)74)46-69(72)76(54-40-37-50(38-41-54)48-20-4-3-5-21-48)55-42-43-71-67(47-55)75(66-34-18-19-35-70(66)77-71)64-32-16-10-26-58(64)59-27-11-17-33-65(59)75/h3-47H,1-2H3.
What are the key properties of N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 982.24 g/mol, XLogP of 19.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-dimethyl-2-(9-naphthalen-2-ylfluoren-9-yl)fluoren-4-yl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 166647163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).