N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine

C56H39NO — CID 164730939

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3c(ccc5ccccc35)C43c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C56H39NO/c1-55(2)44-20-9-8-19-42(44)43-33-32-40(35-49(43)55)57(39-30-27-37(28-31-39)36-15-4-3-5-16-36)50-24-14-23-47-54(50)53-41-18-7-6-17-38(41)29-34-48(53)56(47)45-21-10-12-25-51(45)58-52-26-13-11-22-46(52)56/h3-35H,1-2H3
InChIKeyBIVTWGNLMXAUPJ-UHFFFAOYSA-N
MW741.93 g/mol
LogP14.75
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine (PubChem CID 164730939) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
PubChem CID164730939
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3c(ccc5ccccc35)C43c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C56H39NO/c1-55(2)44-20-9-8-19-42(44)43-33-32-40(35-49(43)55)57(39-30-27-37(28-31-39)36-15-4-3-5-16-36)50-24-14-23-47-54(50)53-41-18-7-6-17-38(41)29-34-48(53)56(47)45-21-10-12-25-51(45)58-52-26-13-11-22-46(52)56/h3-35H,1-2H3
InChIKeyBIVTWGNLMXAUPJ-UHFFFAOYSA-N
XLogP14.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129259070
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164949149
N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130462590
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine
CID 138477387
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 167177926
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 164730877
N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-10-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 161030964
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167232104

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine (CID 164730939) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3c(ccc5ccccc35)C43c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine?
The InChIKey is BIVTWGNLMXAUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-55(2)44-20-9-8-19-42(44)43-33-32-40(35-49(43)55)57(39-30-27-37(28-31-39)36-15-4-3-5-16-36)50-24-14-23-47-54(50)53-41-18-7-6-17-38(41)29-34-48(53)56(47)45-21-10-12-25-51(45)58-52-26-13-11-22-46(52)56/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine has a molecular weight of 741.93 g/mol, XLogP of 14.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine is sourced from PubChem (CID 164730939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).