2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

C71H46N2O — CID 176633873

IUPAC2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccc5ccccc5c4-c4ccccc4)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C71H46N2O/c1-4-21-47(22-5-1)53-28-14-18-35-64(53)72(50-26-8-3-9-27-50)51-40-42-57-55-30-12-16-33-60(55)71(62(57)45-51)61-34-17-13-31-56(61)58-43-41-52(46-63(58)71)73(65-36-20-38-68-70(65)59-32-15-19-37-67(59)74-68)66-44-39-48-23-10-11-29-54(48)69(66)49-24-6-2-7-25-49/h1-46H
InChIKeyZGRAWYFTBUGGDH-UHFFFAOYSA-N
MW943.16 g/mol
LogP19.36
Rot. Bonds8

About 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 176633873) has the molecular formula C71H46N2O and a molecular weight of 943.16 g/mol. Its IUPAC name is 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID176633873
Molecular FormulaC71H46N2O
Molecular Weight943.16 g/mol
Exact Mass942.36
IUPAC Name2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccc5ccccc5c4-c4ccccc4)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C71H46N2O/c1-4-21-47(22-5-1)53-28-14-18-35-64(53)72(50-26-8-3-9-27-50)51-40-42-57-55-30-12-16-33-60(55)71(62(57)45-51)61-34-17-13-31-56(61)58-43-41-52(46-63(58)71)73(65-36-20-38-68-70(65)59-32-15-19-37-67(59)74-68)66-44-39-48-23-10-11-29-54(48)69(66)49-24-6-2-7-25-49/h1-46H
InChIKeyZGRAWYFTBUGGDH-UHFFFAOYSA-N
XLogP19.36
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.16
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine with MolForge

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Related Compounds

N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine
CID 176633906
6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296074
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
N-(7,7-diphenylbenzo[g]fluoren-8-yl)-N-phenyldibenzofuran-1-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[g]fluoren-8-amine;N-naphthalen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-8-amine;N,7,7-triphenyl-N-(2-phenylphenyl)benzo[g]fluoren-8-amine
CID 162173102
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156558424
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775393
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049

Frequently Asked Questions

What is the IUPAC name of 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (CID 176633873) is 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccc5ccccc5c4-c4ccccc4)c4cccc5oc6ccccc6c45)cc32)cc1.
What is the InChIKey of 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is ZGRAWYFTBUGGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2O/c1-4-21-47(22-5-1)53-28-14-18-35-64(53)72(50-26-8-3-9-27-50)51-40-42-57-55-30-12-16-33-60(55)71(62(57)45-51)61-34-17-13-31-56(61)58-43-41-52(46-63(58)71)73(65-36-20-38-68-70(65)59-32-15-19-37-67(59)74-68)66-44-39-48-23-10-11-29-54(48)69(66)49-24-6-2-7-25-49/h1-46H.
What are the key properties of 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 943.16 g/mol, XLogP of 19.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 176633873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).