N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C55H39NO — CID 167252457

IUPACN-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccc(-c6ccccc6)c(-c6ccccc6)c5oc4c4ccccc34)cc21
InChIInChI=1S/C55H39NO/c1-55(2)49-25-15-14-22-43(49)44-31-30-41(34-50(44)55)56(40-28-26-37(27-29-40)36-16-6-3-7-17-36)51-35-48-47-33-32-42(38-18-8-4-9-19-38)52(39-20-10-5-11-21-39)54(47)57-53(48)46-24-13-12-23-45(46)51/h3-35H,1-2H3
InChIKeyMSHDMMLUPCYXPX-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 167252457) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID167252457
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccc(-c6ccccc6)c(-c6ccccc6)c5oc4c4ccccc34)cc21
InChIInChI=1S/C55H39NO/c1-55(2)49-25-15-14-22-43(49)44-31-30-41(34-50(44)55)56(40-28-26-37(27-29-40)36-16-6-3-7-17-36)51-35-48-47-33-32-42(38-18-8-4-9-19-38)52(39-20-10-5-11-21-39)54(47)57-53(48)46-24-13-12-23-45(46)51/h3-35H,1-2H3
InChIKeyMSHDMMLUPCYXPX-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
9,9-dimethyl-N-[4-(19-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433694
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167402717
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
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
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
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-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423454
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)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423967
N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144415

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 167252457) is N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccc(-c6ccccc6)c(-c6ccccc6)c5oc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is MSHDMMLUPCYXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)49-25-15-14-22-43(49)44-31-30-41(34-50(44)55)56(40-28-26-37(27-29-40)36-16-6-3-7-17-36)51-35-48-47-33-32-42(38-18-8-4-9-19-38)52(39-20-10-5-11-21-39)54(47)57-53(48)46-24-13-12-23-45(46)51/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 729.92 g/mol, XLogP of 15.52, 6 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)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 167252457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).