N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine

C61H41NO — CID 135277465

IUPACN,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine
SMILESC1=CC2Oc3c(ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3-c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C61H41NO/c1-3-15-40(16-4-1)42-27-29-44(30-28-42)59-57(38-37-52-51-22-10-14-26-58(51)63-60(52)59)62(45-33-31-43(32-34-45)41-17-5-2-6-18-41)46-35-36-50-49-21-9-13-25-55(49)61(56(50)39-46)53-23-11-7-19-47(53)48-20-8-12-24-54(48)61/h1-39,51,58H
InChIKeyVBCDVPNIMBMNPP-UHFFFAOYSA-N
MW804.01 g/mol
LogP15.47
Rot. Bonds6

About N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine

N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine (PubChem CID 135277465) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound NameN,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine
PubChem CID135277465
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC NameN,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine
SMILESC1=CC2Oc3c(ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3-c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C61H41NO/c1-3-15-40(16-4-1)42-27-29-44(30-28-42)59-57(38-37-52-51-22-10-14-26-58(51)63-60(52)59)62(45-33-31-43(32-34-45)41-17-5-2-6-18-41)46-35-36-50-49-21-9-13-25-55(49)61(56(50)39-46)53-23-11-7-19-47(53)48-20-8-12-24-54(48)61/h1-39,51,58H
InChIKeyVBCDVPNIMBMNPP-UHFFFAOYSA-N
XLogP15.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine
CID 174199386
9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135277301
N-phenyl-N-[3-phenyl-2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167293277
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-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'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 168728813
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol
CID 122473560

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine?
The IUPAC name of N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine (CID 135277465) is N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine.
What is the SMILES notation for N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine?
The canonical SMILES for N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine is C1=CC2Oc3c(ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3-c3ccc(-c4ccccc4)cc3)C2C=C1.
What is the InChIKey of N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine?
The InChIKey is VBCDVPNIMBMNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-3-15-40(16-4-1)42-27-29-44(30-28-42)59-57(38-37-52-51-22-10-14-26-58(51)63-60(52)59)62(45-33-31-43(32-34-45)41-17-5-2-6-18-41)46-35-36-50-49-21-9-13-25-55(49)61(56(50)39-46)53-23-11-7-19-47(53)48-20-8-12-24-54(48)61/h1-39,51,58H.
What are the key properties of N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine?
N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine has a molecular weight of 804.01 g/mol, XLogP of 15.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 135277465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).