N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C61H43NO — CID 155423967

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc4c(oc5cccc(-c6ccc(-c7ccccc7)cc6)c54)c4ccccc34)cc21
InChIInChI=1S/C61H43NO/c1-61(2)55-27-15-14-23-50(55)51-34-33-47(38-56(51)61)62(48-36-45(41-19-8-4-9-20-41)35-46(37-48)42-21-10-5-11-22-42)57-39-54-59-49(44-31-29-43(30-32-44)40-17-6-3-7-18-40)26-16-28-58(59)63-60(54)53-25-13-12-24-52(53)57/h3-39H,1-2H3
InChIKeyRHAYMRGFVQXNQM-UHFFFAOYSA-N
MW806.02 g/mol
LogP17.18
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423967) has the molecular formula C61H43NO and a molecular weight of 806.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423967
Molecular FormulaC61H43NO
Molecular Weight806.02 g/mol
Exact Mass805.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc4c(oc5cccc(-c6ccc(-c7ccccc7)cc6)c54)c4ccccc34)cc21
InChIInChI=1S/C61H43NO/c1-61(2)55-27-15-14-23-50(55)51-34-33-47(38-56(51)61)62(48-36-45(41-19-8-4-9-20-41)35-46(37-48)42-21-10-5-11-22-42)57-39-54-59-49(44-31-29-43(30-32-44)40-17-6-3-7-18-40)26-16-28-58(59)63-60(54)53-25-13-12-24-52(53)57/h3-39H,1-2H3
InChIKeyRHAYMRGFVQXNQM-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.02
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423454
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167402717
N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144415
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022152
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 155423580
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423638
N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 158540927
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 155423967) is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc4c(oc5cccc(-c6ccc(-c7ccccc7)cc6)c54)c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is RHAYMRGFVQXNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NO/c1-61(2)55-27-15-14-23-50(55)51-34-33-47(38-56(51)61)62(48-36-45(41-19-8-4-9-20-41)35-46(37-48)42-21-10-5-11-22-42)57-39-54-59-49(44-31-29-43(30-32-44)40-17-6-3-7-18-40)26-16-28-58(59)63-60(54)53-25-13-12-24-52(53)57/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 806.02 g/mol, XLogP of 17.18, 7 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)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).