N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

C62H43NO — CID 167232104

IUPACN-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C62H43NO/c1-61(2)54-26-15-20-43-30-35-47(42-18-7-4-8-19-42)60(59(43)54)50-36-33-45(38-55(50)61)63(44-31-28-41(29-32-44)40-16-5-3-6-17-40)46-34-37-58-56(39-46)62(53-25-13-14-27-57(53)64-58)51-23-11-9-21-48(51)49-22-10-12-24-52(49)62/h3-39H,1-2H3
InChIKeyGZTXMWVSZNLCJF-UHFFFAOYSA-N
MW818.03 g/mol
LogP16.42
Rot. Bonds5

About N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 167232104) has the molecular formula C62H43NO and a molecular weight of 818.03 g/mol. Its IUPAC name is N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID167232104
Molecular FormulaC62H43NO
Molecular Weight818.03 g/mol
Exact Mass817.33
IUPAC NameN-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C62H43NO/c1-61(2)54-26-15-20-43-30-35-47(42-18-7-4-8-19-42)60(59(43)54)50-36-33-45(38-55(50)61)63(44-31-28-41(29-32-44)40-16-5-3-6-17-40)46-34-37-58-56(39-46)62(53-25-13-14-27-57(53)64-58)51-23-11-9-21-48(51)49-22-10-12-24-52(49)62/h3-39H,1-2H3
InChIKeyGZTXMWVSZNLCJF-UHFFFAOYSA-N
XLogP16.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.03
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine
CID 146333663
9,9-dimethyl-N-[4-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176598288
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-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167232152
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-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine
CID 138477387
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (CID 167232104) is N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2c(-c3ccccc3)ccc3cccc1c23.
What is the InChIKey of N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is GZTXMWVSZNLCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-61(2)54-26-15-20-43-30-35-47(42-18-7-4-8-19-42)60(59(43)54)50-36-33-45(38-55(50)61)63(44-31-28-41(29-32-44)40-16-5-3-6-17-40)46-34-37-58-56(39-46)62(53-25-13-14-27-57(53)64-58)51-23-11-9-21-48(51)49-22-10-12-24-52(49)62/h3-39H,1-2H3.
What are the key properties of N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 818.03 g/mol, XLogP of 16.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 167232104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).