N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

C72H47NO — CID 170674936

IUPACN-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(cc3-c3ccc(-c5cccc6ccccc56)cc3)oc3c5ccccc5ccc43)cc21
InChIInChI=1S/C72H47NO/c1-71(2)62-26-11-7-21-53(62)57-38-35-48(40-66(57)71)73(49-36-39-58-56-24-10-14-29-65(56)72(67(58)41-49)63-27-12-8-22-54(63)55-23-9-13-28-64(55)72)68-42-61-59-37-34-45-17-4-6-20-52(45)70(59)74-69(61)43-60(68)47-32-30-46(31-33-47)51-25-15-18-44-16-3-5-19-50(44)51/h3-43H,1-2H3
InChIKeyRPMPSZGRSAQVQA-UHFFFAOYSA-N
MW942.17 g/mol
LogP19.35
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 170674936) has the molecular formula C72H47NO and a molecular weight of 942.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID170674936
Molecular FormulaC72H47NO
Molecular Weight942.17 g/mol
Exact Mass941.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(cc3-c3ccc(-c5cccc6ccccc56)cc3)oc3c5ccccc5ccc43)cc21
InChIInChI=1S/C72H47NO/c1-71(2)62-26-11-7-21-53(62)57-38-35-48(40-66(57)71)73(49-36-39-58-56-24-10-14-29-65(56)72(67(58)41-49)63-27-12-8-22-54(63)55-23-9-13-28-64(55)72)68-42-61-59-37-34-45-17-4-6-20-52(45)70(59)74-69(61)43-60(68)47-32-30-46(31-33-47)51-25-15-18-44-16-3-5-19-50(44)51/h3-43H,1-2H3
InChIKeyRPMPSZGRSAQVQA-UHFFFAOYSA-N
XLogP19.35
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.17
LogP ≤ 519.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-8-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 170674938
N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675579
9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170675659
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 169285279
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939628
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170674956
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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170272231
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-2-yl)-17-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050377

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (CID 170674936) is N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(cc3-c3ccc(-c5cccc6ccccc56)cc3)oc3c5ccccc5ccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is RPMPSZGRSAQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47NO/c1-71(2)62-26-11-7-21-53(62)57-38-35-48(40-66(57)71)73(49-36-39-58-56-24-10-14-29-65(56)72(67(58)41-49)63-27-12-8-22-54(63)55-23-9-13-28-64(55)72)68-42-61-59-37-34-45-17-4-6-20-52(45)70(59)74-69(61)43-60(68)47-32-30-46(31-33-47)51-25-15-18-44-16-3-5-19-50(44)51/h3-43H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 942.17 g/mol, XLogP of 19.35, 5 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)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 170674936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).