N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine

C60H43NO — CID 171433437

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(-c4cccc5ccccc45)ccc4oc5c6ccccc6c6ccccc6c5c34)cc21
InChIInChI=1S/C60H43NO/c1-59(2)50-26-13-11-21-43(50)45-30-28-37(34-52(45)59)61(38-29-31-46-44-22-12-14-27-51(44)60(3,4)53(46)35-38)57-48(40-25-15-17-36-16-5-6-18-39(36)40)32-33-54-56(57)55-47-23-9-7-19-41(47)42-20-8-10-24-49(42)58(55)62-54/h5-35H,1-4H3
InChIKeyONBVYFJZROQARP-UHFFFAOYSA-N
MW794.01 g/mol
LogP16.80
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine (PubChem CID 171433437) has the molecular formula C60H43NO and a molecular weight of 794.01 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine
PubChem CID171433437
Molecular FormulaC60H43NO
Molecular Weight794.01 g/mol
Exact Mass793.33
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(-c4cccc5ccccc45)ccc4oc5c6ccccc6c6ccccc6c5c34)cc21
InChIInChI=1S/C60H43NO/c1-59(2)50-26-13-11-21-43(50)45-30-28-37(34-52(45)59)61(38-29-31-46-44-22-12-14-27-51(44)60(3,4)53(46)35-38)57-48(40-25-15-17-36-16-5-6-18-39(36)40)32-33-54-56(57)55-47-23-9-7-19-41(47)42-20-8-10-24-49(42)58(55)62-54/h5-35H,1-4H3
InChIKeyONBVYFJZROQARP-UHFFFAOYSA-N
XLogP16.80
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.01
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-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,17-bis(4-phenylphenyl)-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-16-amine
CID 171433310
9,9-dimethyl-N-[4-(17-naphthalen-1-yl-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433488
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-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-naphthalen-1-yltriphenylen-1-amine
CID 177294651
N-(9,9-dimethylfluoren-2-yl)-N,6-dinaphthalen-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536433
9,9-dimethyl-N-[4-(19-naphthalen-1-yl-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-17-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433237
9,9-dimethyl-N-[4-(16-naphthalen-2-yl-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-17-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433044
N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine
CID 177294664
9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170675659
N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295634
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423614
N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170675307

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine (CID 171433437) is N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(-c4cccc5ccccc45)ccc4oc5c6ccccc6c6ccccc6c5c34)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine?
The InChIKey is ONBVYFJZROQARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NO/c1-59(2)50-26-13-11-21-43(50)45-30-28-37(34-52(45)59)61(38-29-31-46-44-22-12-14-27-51(44)60(3,4)53(46)35-38)57-48(40-25-15-17-36-16-5-6-18-39(36)40)32-33-54-56(57)55-47-23-9-7-19-41(47)42-20-8-10-24-49(42)58(55)62-54/h5-35H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine has a molecular weight of 794.01 g/mol, XLogP of 16.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-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-16-amine is sourced from PubChem (CID 171433437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).