2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine

C61H40N2O2 — CID 146365095

IUPAC2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5c3oc3ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C61H40N2O2/c1-4-16-41(17-5-1)43-28-31-47(32-29-43)63(48-33-30-42-18-10-11-19-44(42)38-48)50-35-37-52-51-36-34-49(62(45-20-6-2-7-21-45)46-22-8-3-9-23-46)39-55(51)61(56(52)40-50)54-25-13-15-27-58(54)64-59-53-24-12-14-26-57(53)65-60(59)61/h1-40H
InChIKeySBIHOEDQBJFQBN-UHFFFAOYSA-N
MW833.00 g/mol
LogP16.66
Rot. Bonds7

About 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine

2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine (PubChem CID 146365095) has the molecular formula C61H40N2O2 and a molecular weight of 833.00 g/mol. Its IUPAC name is 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine
PubChem CID146365095
Molecular FormulaC61H40N2O2
Molecular Weight833.00 g/mol
Exact Mass832.31
IUPAC Name2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5c3oc3ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C61H40N2O2/c1-4-16-41(17-5-1)43-28-31-47(32-29-43)63(48-33-30-42-18-10-11-19-44(42)38-48)50-35-37-52-51-36-34-49(62(45-20-6-2-7-21-45)46-22-8-3-9-23-46)39-55(51)61(56(52)40-50)54-25-13-15-27-58(54)64-59-53-24-12-14-26-57(53)65-60(59)61/h1-40H
InChIKeySBIHOEDQBJFQBN-UHFFFAOYSA-N
XLogP16.66
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.00
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine with MolForge

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Related Compounds

N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365284
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-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine
CID 146365117
N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365250
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365158
2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529735
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153947
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229633
N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
CID 146365105
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365340
N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine
CID 134555021
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164730810

Frequently Asked Questions

What is the IUPAC name of 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine?
The IUPAC name of 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine (CID 146365095) is 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine?
The canonical SMILES for 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5c3oc3ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine?
The InChIKey is SBIHOEDQBJFQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O2/c1-4-16-41(17-5-1)43-28-31-47(32-29-43)63(48-33-30-42-18-10-11-19-44(42)38-48)50-35-37-52-51-36-34-49(62(45-20-6-2-7-21-45)46-22-8-3-9-23-46)39-55(51)61(56(52)40-50)54-25-13-15-27-58(54)64-59-53-24-12-14-26-57(53)65-60(59)61/h1-40H.
What are the key properties of 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine?
2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine has a molecular weight of 833.00 g/mol, XLogP of 16.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 146365095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).