N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine

C55H39NO — CID 171757601

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)Oc3ccccc3-c3ccc5ccccc5c3-4)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-23-13-11-21-45(50)46-29-26-41(34-51(46)55)56(43-32-39(36-15-5-3-6-16-36)31-40(33-43)37-17-7-4-8-18-37)42-27-30-49-53(35-42)57-52-24-14-12-22-47(52)48-28-25-38-19-9-10-20-44(38)54(48)49/h3-35H,1-2H3
InChIKeyZFDCSKHVFUOAHR-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.39
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine (PubChem CID 171757601) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine
PubChem CID171757601
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)Oc3ccccc3-c3ccc5ccccc5c3-4)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-23-13-11-21-45(50)46-29-26-41(34-51(46)55)56(43-32-39(36-15-5-3-6-16-36)31-40(33-43)37-17-7-4-8-18-37)42-27-30-49-53(35-42)57-52-24-14-12-22-47(52)48-28-25-38-19-9-10-20-44(38)54(48)49/h3-35H,1-2H3
InChIKeyZFDCSKHVFUOAHR-UHFFFAOYSA-N
XLogP15.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-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)-6-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 176597519
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-5-amine
CID 171757615
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine
CID 171757650
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine
CID 171757658
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 176597895
16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenanthren-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
CID 118030248
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-23-amine
CID 171757751
N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 171452807
N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-5-amine
CID 176598425
3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286747

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine (CID 171757601) is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)Oc3ccccc3-c3ccc5ccccc5c3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine?
The InChIKey is ZFDCSKHVFUOAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)50-23-13-11-21-45(50)46-29-26-41(34-51(46)55)56(43-32-39(36-15-5-3-6-16-36)31-40(33-43)37-17-7-4-8-18-37)42-27-30-49-53(35-42)57-52-24-14-12-22-47(52)48-28-25-38-19-9-10-20-44(38)54(48)49/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine has a molecular weight of 729.92 g/mol, XLogP of 15.39, 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-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine is sourced from PubChem (CID 171757601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).