N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C55H41NO — CID 167143221

IUPACN-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)C2=CC(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5c6ccccc6c(-c6cccc(-c7ccccc7)c6)cc5c4c3)=CCC2c2ccccc21
InChIInChI=1S/C55H41NO/c1-55(2)51-23-12-11-21-45(51)46-30-28-43(34-52(46)55)56(41-26-24-38(25-27-41)36-14-5-3-6-15-36)42-29-31-53-49(33-42)50-35-48(44-20-9-10-22-47(44)54(50)57-53)40-19-13-18-39(32-40)37-16-7-4-8-17-37/h3-29,31-35,46H,30H2,1-2H3
InChIKeyWHJSFZNPJZLNDI-UHFFFAOYSA-N
MW731.94 g/mol
LogP15.17
Rot. Bonds6

About N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167143221) has the molecular formula C55H41NO and a molecular weight of 731.94 g/mol. Its IUPAC name is N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167143221
Molecular FormulaC55H41NO
Molecular Weight731.94 g/mol
Exact Mass731.32
IUPAC NameN-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)C2=CC(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5c6ccccc6c(-c6cccc(-c7ccccc7)c6)cc5c4c3)=CCC2c2ccccc21
InChIInChI=1S/C55H41NO/c1-55(2)51-23-12-11-21-45(51)46-30-28-43(34-52(46)55)56(41-26-24-38(25-27-41)36-14-5-3-6-15-36)42-29-31-53-49(33-42)50-35-48(44-20-9-10-22-47(44)54(50)57-53)40-19-13-18-39(32-40)37-16-7-4-8-17-37/h3-29,31-35,46H,30H2,1-2H3
InChIKeyWHJSFZNPJZLNDI-UHFFFAOYSA-N
XLogP15.17
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 155423580
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 167143361
9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine
CID 156558959
N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 163747125
N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159860584
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 167143881
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
9,9-dimethyl-N-[4-[8-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167403290
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphtho[1,2-b][1]benzofuran-5-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160561791
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 167143221) is N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is CC1(C)C2=CC(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5c6ccccc6c(-c6cccc(-c7ccccc7)c6)cc5c4c3)=CCC2c2ccccc21.
What is the InChIKey of N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is WHJSFZNPJZLNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41NO/c1-55(2)51-23-12-11-21-45(51)46-30-28-43(34-52(46)55)56(41-26-24-38(25-27-41)36-14-5-3-6-15-36)42-29-31-53-49(33-42)50-35-48(44-20-9-10-22-47(44)54(50)57-53)40-19-13-18-39(32-40)37-16-7-4-8-17-37/h3-29,31-35,46H,30H2,1-2H3.
What are the key properties of N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 731.94 g/mol, XLogP of 15.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167143221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).