N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine

C62H41NO — CID 171730540

IUPACN-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc21
InChIInChI=1S/C62H41NO/c1-61(2)51-26-12-8-21-43(51)47-33-31-40(36-55(47)61)63(57-30-16-25-49-58-42-20-7-6-19-39(42)35-50(60(58)64-59(49)57)38-17-4-3-5-18-38)41-32-34-48-46-24-11-15-29-54(46)62(56(48)37-41)52-27-13-9-22-44(52)45-23-10-14-28-53(45)62/h3-37H,1-2H3
InChIKeyXNTAJLDBCCWKEC-UHFFFAOYSA-N
MW816.02 g/mol
LogP16.53
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 171730540) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID171730540
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc21
InChIInChI=1S/C62H41NO/c1-61(2)51-26-12-8-21-43(51)47-33-31-40(36-55(47)61)63(57-30-16-25-49-58-42-20-7-6-19-39(42)35-50(60(58)64-59(49)57)38-17-4-3-5-18-38)41-32-34-48-46-24-11-15-29-54(46)62(56(48)37-41)52-27-13-9-22-44(52)45-23-10-14-28-53(45)62/h3-37H,1-2H3
InChIKeyXNTAJLDBCCWKEC-UHFFFAOYSA-N
XLogP16.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 166028581
1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine
CID 160771142
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808372
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050362
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320632
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028544
12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 126550533
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844263
N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine (CID 171730540) is N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is XNTAJLDBCCWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-61(2)51-26-12-8-21-43(51)47-33-31-40(36-55(47)61)63(57-30-16-25-49-58-42-20-7-6-19-39(42)35-50(60(58)64-59(49)57)38-17-4-3-5-18-38)41-32-34-48-46-24-11-15-29-54(46)62(56(48)37-41)52-27-13-9-22-44(52)45-23-10-14-28-53(45)62/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 816.02 g/mol, XLogP of 16.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 171730540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).