N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine

C53H41NO — CID 170376614

IUPACN-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=C4c5c(cc6oc7ccccc7c6c5-c5ccccc5)CC(c5ccccc5)C4C3)c3ccccc3)cc21
InChIInChI=1S/C53H41NO/c1-53(2)46-24-14-12-22-40(46)41-28-26-39(33-47(41)53)54(37-20-10-5-11-21-37)38-27-29-42-45(32-38)44(34-16-6-3-7-17-34)30-36-31-49-52(43-23-13-15-25-48(43)55-49)51(50(36)42)35-18-8-4-9-19-35/h3-29,31,33,44-45H,30,32H2,1-2H3
InChIKeyQBJUHKWIOGQLIV-UHFFFAOYSA-N
MW707.92 g/mol
LogP14.02
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine

N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine (PubChem CID 170376614) has the molecular formula C53H41NO and a molecular weight of 707.92 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine
PubChem CID170376614
Molecular FormulaC53H41NO
Molecular Weight707.92 g/mol
Exact Mass707.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=C4c5c(cc6oc7ccccc7c6c5-c5ccccc5)CC(c5ccccc5)C4C3)c3ccccc3)cc21
InChIInChI=1S/C53H41NO/c1-53(2)46-24-14-12-22-40(46)41-28-26-39(33-47(41)53)54(37-20-10-5-11-21-37)38-27-29-42-45(32-38)44(34-16-6-3-7-17-34)30-36-31-49-52(43-23-13-15-25-48(43)55-49)51(50(36)42)35-18-8-4-9-19-35/h3-29,31,33,44-45H,30,32H2,1-2H3
InChIKeyQBJUHKWIOGQLIV-UHFFFAOYSA-N
XLogP14.02
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-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)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 171401843
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 171402240
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-11-amine
CID 171402140
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[1-(2-phenylphenyl)dibenzofuran-2-yl]phenyl]fluoren-2-amine
CID 177281131
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine
CID 170722738
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176765100
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-4-amine
CID 166860772
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141
N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281306
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-3-amine
CID 177280948
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine (CID 170376614) is N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CC=C4c5c(cc6oc7ccccc7c6c5-c5ccccc5)CC(c5ccccc5)C4C3)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine?
The InChIKey is QBJUHKWIOGQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41NO/c1-53(2)46-24-14-12-22-40(46)41-28-26-39(33-47(41)53)54(37-20-10-5-11-21-37)38-27-29-42-45(32-38)44(34-16-6-3-7-17-34)30-36-31-49-52(43-23-13-15-25-48(43)55-49)51(50(36)42)35-18-8-4-9-19-35/h3-29,31,33,44-45H,30,32H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine?
N-(9,9-dimethylfluoren-2-yl)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine has a molecular weight of 707.92 g/mol, XLogP of 14.02, 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)-N,2,15-triphenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,18,20-octaen-18-amine is sourced from PubChem (CID 170376614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).