N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine

C60H39NO — CID 176652213

IUPACN-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine
SMILESCc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3)cc21
InChIInChI=1S/C60H39NO/c1-38-25-34-55-52(35-38)48-18-8-10-23-54(48)60(55)53-22-9-7-17-47(53)49-33-29-43(37-56(49)60)40-26-30-44(31-27-40)61(45-32-28-39-13-5-6-16-42(39)36-45)57-24-12-21-51-50-20-11-19-46(58(50)62-59(51)57)41-14-3-2-4-15-41/h2-37H,1H3
InChIKeyIDOJEGFCHMHOAE-UHFFFAOYSA-N
MW789.98 g/mol
LogP16.19
Rot. Bonds5

About N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine

N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine (PubChem CID 176652213) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine
PubChem CID176652213
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine
SMILESCc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3)cc21
InChIInChI=1S/C60H39NO/c1-38-25-34-55-52(35-38)48-18-8-10-23-54(48)60(55)53-22-9-7-17-47(53)49-33-29-43(37-56(49)60)40-26-30-44(31-27-40)61(45-32-28-39-13-5-6-16-42(39)36-45)57-24-12-21-51-50-20-11-19-46(58(50)62-59(51)57)41-14-3-2-4-15-41/h2-37H,1H3
InChIKeyIDOJEGFCHMHOAE-UHFFFAOYSA-N
XLogP16.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;methane;N-naphthalen-2-yl-6-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-4-amine
CID 158266678
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaen-16-amine;N-naphthalen-2-yl-6-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-4-amine
CID 160618766
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;methane;N-naphthalen-2-yl-6-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-4-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 160945093
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-6-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-4-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 158052437
N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine
CID 155066053
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 159830001
N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170690345
N-[4-(9-naphthalen-2-ylfluoren-9-yl)phenyl]-N,6-diphenyldibenzofuran-4-amine
CID 138669005
7-N',17-N'-diphenyl-7-N',17-N'-bis(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137492765
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
CID 90139814
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170676879

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine?
The IUPAC name of N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine (CID 176652213) is N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine is Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3)cc21.
What is the InChIKey of N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine?
The InChIKey is IDOJEGFCHMHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-38-25-34-55-52(35-38)48-18-8-10-23-54(48)60(55)53-22-9-7-17-47(53)49-33-29-43(37-56(49)60)40-26-30-44(31-27-40)61(45-32-28-39-13-5-6-16-42(39)36-45)57-24-12-21-51-50-20-11-19-46(58(50)62-59(51)57)41-14-3-2-4-15-41/h2-37H,1H3.
What are the key properties of N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine?
N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine has a molecular weight of 789.98 g/mol, XLogP of 16.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 176652213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).