N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C74H50N2 — CID 143240280

IUPACN-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC2=C(CC1)c1ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C74H50N2/c1-3-19-51(20-4-1)75(55-43-45-63-61-27-11-17-33-69(61)73(71(63)47-55)65-29-13-7-23-57(65)58-24-8-14-30-66(58)73)53-39-35-49(36-40-53)50-37-41-54(42-38-50)76(52-21-5-2-6-22-52)56-44-46-64-62-28-12-18-34-70(62)74(72(64)48-56)67-31-15-9-25-59(67)60-26-10-16-32-68(60)74/h1-11,13-27,29-48H,12,28H2
InChIKeyFVUFFGPZYNSZCG-UHFFFAOYSA-N
MW967.23 g/mol
LogP19.07
Rot. Bonds7

About N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 143240280) has the molecular formula C74H50N2 and a molecular weight of 967.23 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID143240280
Molecular FormulaC74H50N2
Molecular Weight967.23 g/mol
Exact Mass966.40
IUPAC NameN-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC2=C(CC1)c1ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C74H50N2/c1-3-19-51(20-4-1)75(55-43-45-63-61-27-11-17-33-69(61)73(71(63)47-55)65-29-13-7-23-57(65)58-24-8-14-30-66(58)73)53-39-35-49(36-40-53)50-37-41-54(42-38-50)76(52-21-5-2-6-22-52)56-44-46-64-62-28-12-18-34-70(62)74(72(64)48-56)67-31-15-9-25-59(67)60-26-10-16-32-68(60)74/h1-11,13-27,29-48H,12,28H2
InChIKeyFVUFFGPZYNSZCG-UHFFFAOYSA-N
XLogP19.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.23
LogP ≤ 519.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 70907150
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 143240280) is N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is C1=CC2=C(CC1)c1ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is FVUFFGPZYNSZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2/c1-3-19-51(20-4-1)75(55-43-45-63-61-27-11-17-33-69(61)73(71(63)47-55)65-29-13-7-23-57(65)58-24-8-14-30-66(58)73)53-39-35-49(36-40-53)50-37-41-54(42-38-50)76(52-21-5-2-6-22-52)56-44-46-64-62-28-12-18-34-70(62)74(72(64)48-56)67-31-15-9-25-59(67)60-26-10-16-32-68(60)74/h1-11,13-27,29-48H,12,28H2.
What are the key properties of N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 967.23 g/mol, XLogP of 19.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 143240280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).