9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine

C58H41NO — CID 142588894

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C4(O5)c5ccccc5-c5ccccc54)cc3)cc21
InChIInChI=1S/C58H41NO/c1-57(2)51-20-10-6-16-45(51)49-34-33-44(37-55(49)57)59(42-29-24-39(25-30-42)38-14-4-3-5-15-38)43-31-26-40(27-32-43)41-28-35-56-50(36-41)48-19-9-13-23-54(48)58(60-56)52-21-11-7-17-46(52)47-18-8-12-22-53(47)58/h3-37H,1-2H3
InChIKeyZRIVMMIDJREDKJ-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.13
Rot. Bonds5

About 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine (PubChem CID 142588894) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine
PubChem CID142588894
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C4(O5)c5ccccc5-c5ccccc54)cc3)cc21
InChIInChI=1S/C58H41NO/c1-57(2)51-20-10-6-16-45(51)49-34-33-44(37-55(49)57)59(42-29-24-39(25-30-42)38-14-4-3-5-15-38)43-31-26-40(27-32-43)41-28-35-56-50(36-41)48-19-9-13-23-54(48)58(60-56)52-21-11-7-17-46(52)47-18-8-12-22-53(47)58/h3-37H,1-2H3
InChIKeyZRIVMMIDJREDKJ-UHFFFAOYSA-N
XLogP15.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597787
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine
CID 167340346
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine (CID 142588894) is 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C4(O5)c5ccccc5-c5ccccc54)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine?
The InChIKey is ZRIVMMIDJREDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(2)51-20-10-6-16-45(51)49-34-33-44(37-55(49)57)59(42-29-24-39(25-30-42)38-14-4-3-5-15-38)43-31-26-40(27-32-43)41-28-35-56-50(36-41)48-19-9-13-23-54(48)58(60-56)52-21-11-7-17-46(52)47-18-8-12-22-53(47)58/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine has a molecular weight of 767.97 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 142588894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).