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

C43H31NO — CID 171757751

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3-c3ccccc3Oc3ccccc3-4)cc21
InChIInChI=1S/C43H31NO/c1-43(2)36-21-11-8-18-32(36)33-25-24-30(27-37(33)43)44(29-15-4-3-5-16-29)38-26-28-14-6-7-17-31(28)41-34-19-9-12-22-39(34)45-40-23-13-10-20-35(40)42(38)41/h3-27H,1-2H3
InChIKeyMDKWDOWGECFTLI-UHFFFAOYSA-N
MW577.73 g/mol
LogP12.06
Rot. Bonds3

About 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

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 (PubChem CID 171757751) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID171757751
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3-c3ccccc3Oc3ccccc3-4)cc21
InChIInChI=1S/C43H31NO/c1-43(2)36-21-11-8-18-32(36)33-25-24-30(27-37(33)43)44(29-15-4-3-5-16-29)38-26-28-14-6-7-17-31(28)41-34-19-9-12-22-39(34)45-40-23-13-10-20-35(40)42(38)41/h3-27H,1-2H3
InChIKeyMDKWDOWGECFTLI-UHFFFAOYSA-N
XLogP12.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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)-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
12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine
CID 168855721
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
N-(9,9-dimethylfluoren-2-yl)-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-10-amine
CID 167087586
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
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170412528
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
2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168774947
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
CID 164730939
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[3-(N-phenylanilino)naphthalen-2-yl]phenanthren-2-amine
CID 170285516
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3-c3ccccc3Oc3ccccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is MDKWDOWGECFTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-43(2)36-21-11-8-18-32(36)33-25-24-30(27-37(33)43)44(29-15-4-3-5-16-29)38-26-28-14-6-7-17-31(28)41-34-19-9-12-22-39(34)45-40-23-13-10-20-35(40)42(38)41/h3-27H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 577.73 g/mol, XLogP of 12.06, 3 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-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 is sourced from PubChem (CID 171757751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).