N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C49H35NO — CID 170674899

IUPACN-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c4c(c3)oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C49H35NO/c1-49(2)43-20-12-11-19-40(43)41-27-26-37(30-44(41)49)50(36-24-21-33(22-25-36)32-13-5-3-6-14-32)38-29-42(34-15-7-4-8-16-34)48-46(31-38)51-45-28-23-35-17-9-10-18-39(35)47(45)48/h3-31H,1-2H3
InChIKeyNJFPNVNKGFXRCJ-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 170674899) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID170674899
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c4c(c3)oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C49H35NO/c1-49(2)43-20-12-11-19-40(43)41-27-26-37(30-44(41)49)50(36-24-21-33(22-25-36)32-13-5-3-6-14-32)38-29-42(34-15-7-4-8-16-34)48-46(31-38)51-45-28-23-35-17-9-10-18-39(35)47(45)48/h3-31H,1-2H3
InChIKeyNJFPNVNKGFXRCJ-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 167424189
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122599263
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171752123
9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118368668
N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433107
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140151
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-phenylphenyl]fluoren-2-amine
CID 139551318
9,9-dimethyl-N-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 168807283
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 176808413
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-dibenzofuran-3-yl-N-(3-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine
CID 158236327
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170675083

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 170674899) is N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c4c(c3)oc3ccc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is NJFPNVNKGFXRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)43-20-12-11-19-40(43)41-27-26-37(30-44(41)49)50(36-24-21-33(22-25-36)32-13-5-3-6-14-32)38-29-42(34-15-7-4-8-16-34)48-46(31-38)51-45-28-23-35-17-9-10-18-39(35)47(45)48/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 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)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 170674899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).