3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine

C73H52N2O2 — CID 146365298

IUPAC3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3c(oc5ccc(N(c6ccccc6)c6cccc7ccccc67)cc35)C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C73H52N2O2/c1-71(2)60-29-15-11-27-55(60)57-41-47(34-38-61(57)71)74(49-33-37-56-52-24-10-14-28-59(52)72(3,4)65(56)43-49)50-35-39-64-68(44-50)76-69-58-42-48(75(46-21-6-5-7-22-46)66-32-18-20-45-19-8-9-23-51(45)66)36-40-67(58)77-70(69)73(64)62-30-16-12-25-53(62)54-26-13-17-31-63(54)73/h5-44H,1-4H3
InChIKeyUBFXJXBIXHVCSB-UHFFFAOYSA-N
MW989.23 g/mol
LogP19.61
Rot. Bonds6

About 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine

3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine (PubChem CID 146365298) has the molecular formula C73H52N2O2 and a molecular weight of 989.23 g/mol. Its IUPAC name is 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine.

Molecular Properties

Compound Name3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine
PubChem CID146365298
Molecular FormulaC73H52N2O2
Molecular Weight989.23 g/mol
Exact Mass988.40
IUPAC Name3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3c(oc5ccc(N(c6ccccc6)c6cccc7ccccc67)cc35)C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C73H52N2O2/c1-71(2)60-29-15-11-27-55(60)57-41-47(34-38-61(57)71)74(49-33-37-56-52-24-10-14-28-59(52)72(3,4)65(56)43-49)50-35-39-64-68(44-50)76-69-58-42-48(75(46-21-6-5-7-22-46)66-32-18-20-45-19-8-9-23-51(45)66)36-40-67(58)77-70(69)73(64)62-30-16-12-25-53(62)54-26-13-17-31-63(54)73/h5-44H,1-4H3
InChIKeyUBFXJXBIXHVCSB-UHFFFAOYSA-N
XLogP19.61
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.23
LogP ≤ 519.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine with MolForge

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Related Compounds

7-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-7-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine;7-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-7-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine;3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-7-N,7-N-bis(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine;3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine
CID 157473039
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365355
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365340
2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
CID 134529977
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 157265622
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365158
N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365250

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine?
The IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine (CID 146365298) is 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine.
What is the SMILES notation for 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine?
The canonical SMILES for 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3c(oc5ccc(N(c6ccccc6)c6cccc7ccccc67)cc35)C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine?
The InChIKey is UBFXJXBIXHVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N2O2/c1-71(2)60-29-15-11-27-55(60)57-41-47(34-38-61(57)71)74(49-33-37-56-52-24-10-14-28-59(52)72(3,4)65(56)43-49)50-35-39-64-68(44-50)76-69-58-42-48(75(46-21-6-5-7-22-46)66-32-18-20-45-19-8-9-23-51(45)66)36-40-67(58)77-70(69)73(64)62-30-16-12-25-53(62)54-26-13-17-31-63(54)73/h5-44H,1-4H3.
What are the key properties of 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine?
3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine has a molecular weight of 989.23 g/mol, XLogP of 19.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine is sourced from PubChem (CID 146365298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).