4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C55H46N2O2 — CID 129091638

IUPAC4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCC(C)Oc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc31)c1cc(OC(C)C)ccc1-2
InChIInChI=1S/C55H46N2O2/c1-37(2)58-45-29-32-49-50-33-30-46(59-38(3)4)36-54(50)55(53(49)35-45)51-23-15-14-22-47(51)48-31-28-44(34-52(48)55)57(41-20-12-7-13-21-41)43-26-24-42(25-27-43)56(39-16-8-5-9-17-39)40-18-10-6-11-19-40/h5-38H,1-4H3
InChIKeyPPSONSANQCRPNF-UHFFFAOYSA-N
MW766.99 g/mol
LogP14.54
Rot. Bonds10

About 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 129091638) has the molecular formula C55H46N2O2 and a molecular weight of 766.99 g/mol. Its IUPAC name is 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID129091638
Molecular FormulaC55H46N2O2
Molecular Weight766.99 g/mol
Exact Mass766.36
IUPAC Name4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCC(C)Oc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc31)c1cc(OC(C)C)ccc1-2
InChIInChI=1S/C55H46N2O2/c1-37(2)58-45-29-32-49-50-33-30-46(59-38(3)4)36-54(50)55(53(49)35-45)51-23-15-14-22-47(51)48-31-28-44(34-52(48)55)57(41-20-12-7-13-21-41)43-26-24-42(25-27-43)56(39-16-8-5-9-17-39)40-18-10-6-11-19-40/h5-38H,1-4H3
InChIKeyPPSONSANQCRPNF-UHFFFAOYSA-N
XLogP14.54
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
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
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 153431611
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
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-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577

Frequently Asked Questions

What is the IUPAC name of 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 129091638) is 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is CC(C)Oc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc31)c1cc(OC(C)C)ccc1-2.
What is the InChIKey of 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is PPSONSANQCRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N2O2/c1-37(2)58-45-29-32-49-50-33-30-46(59-38(3)4)36-54(50)55(53(49)35-45)51-23-15-14-22-47(51)48-31-28-44(34-52(48)55)57(41-20-12-7-13-21-41)43-26-24-42(25-27-43)56(39-16-8-5-9-17-39)40-18-10-6-11-19-40/h5-38H,1-4H3.
What are the key properties of 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 766.99 g/mol, XLogP of 14.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 129091638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).