N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine

C63H39NO — CID 177097029

IUPACN-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4ccc5ccccc5c4)c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C63H39NO/c1-3-16-42-36-44(30-28-40(42)14-1)48-22-13-26-59(62(48)45-31-29-41-15-2-4-17-43(41)37-45)64(47-33-35-54-53-21-8-12-27-60(53)65-61(54)39-47)46-32-34-52-51-20-7-11-25-57(51)63(58(52)38-46)55-23-9-5-18-49(55)50-19-6-10-24-56(50)63/h1-39H
InChIKeyBSDKYXBXVMQGQT-UHFFFAOYSA-N
MW826.01 g/mol
LogP17.04
Rot. Bonds5

About N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine

N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine (PubChem CID 177097029) has the molecular formula C63H39NO and a molecular weight of 826.01 g/mol. Its IUPAC name is N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
PubChem CID177097029
Molecular FormulaC63H39NO
Molecular Weight826.01 g/mol
Exact Mass825.30
IUPAC NameN-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4ccc5ccccc5c4)c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C63H39NO/c1-3-16-42-36-44(30-28-40(42)14-1)48-22-13-26-59(62(48)45-31-29-41-15-2-4-17-43(41)37-45)64(47-33-35-54-53-21-8-12-27-60(53)65-61(54)39-47)46-32-34-52-51-20-7-11-25-57(51)63(58(52)38-46)55-23-9-5-18-49(55)50-19-6-10-24-56(50)63/h1-39H
InChIKeyBSDKYXBXVMQGQT-UHFFFAOYSA-N
XLogP17.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.01
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170666163
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177114266
N-[3-phenyl-2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 168788654
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 176588194
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 177274937
N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 177280746

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine (CID 177097029) is N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4ccc5ccccc5c4)c3-c3ccc4ccccc4c3)cc21.
What is the InChIKey of N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The InChIKey is BSDKYXBXVMQGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NO/c1-3-16-42-36-44(30-28-40(42)14-1)48-22-13-26-59(62(48)45-31-29-41-15-2-4-17-43(41)37-45)64(47-33-35-54-53-21-8-12-27-60(53)65-61(54)39-47)46-32-34-52-51-20-7-11-25-57(51)63(58(52)38-46)55-23-9-5-18-49(55)50-19-6-10-24-56(50)63/h1-39H.
What are the key properties of N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine has a molecular weight of 826.01 g/mol, XLogP of 17.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 177097029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).