N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine

C55H44N2O — CID 170656639

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C(C)(C)c3cccc5c3N4c3c(ccc4ccccc34)O5)cc21
InChIInChI=1S/C55H44N2O/c1-53(2)41-19-11-9-17-37(41)39-28-26-34(31-44(39)53)56(35-27-29-40-38-18-10-12-20-42(38)54(3,4)45(40)32-35)46-22-14-23-47-50(46)55(5,6)43-21-13-24-48-52(43)57(47)51-36-16-8-7-15-33(36)25-30-49(51)58-48/h7-32H,1-6H3
InChIKeyJVAOBKGODNEPPL-UHFFFAOYSA-N
MW748.97 g/mol
LogP15.14
Rot. Bonds3

About N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine (PubChem CID 170656639) has the molecular formula C55H44N2O and a molecular weight of 748.97 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine
PubChem CID170656639
Molecular FormulaC55H44N2O
Molecular Weight748.97 g/mol
Exact Mass748.35
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C(C)(C)c3cccc5c3N4c3c(ccc4ccccc34)O5)cc21
InChIInChI=1S/C55H44N2O/c1-53(2)41-19-11-9-17-37(41)39-28-26-34(31-44(39)53)56(35-27-29-40-38-18-10-12-20-42(38)54(3,4)45(40)32-35)46-22-14-23-47-50(46)55(5,6)43-21-13-24-48-52(43)57(47)51-36-16-8-7-15-33(36)25-30-49(51)58-48/h7-32H,1-6H3
InChIKeyJVAOBKGODNEPPL-UHFFFAOYSA-N
XLogP15.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine with MolForge

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Related Compounds

N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine
CID 170656180
N,N-bis(9,9-dimethylfluoren-2-yl)-3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-16-amine
CID 170656424
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-21-amine
CID 170656371
N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-1-yl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656649
N-[4-(18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-21-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170656276
N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-N-naphthalen-1-yl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-14-amine
CID 170656468
N-[4-(18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170656467
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-yl)phenyl]fluoren-2-amine
CID 170656402
N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 170656864
N-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 170657017
18,18-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-22-amine
CID 170656562
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine (CID 170656639) is N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C(C)(C)c3cccc5c3N4c3c(ccc4ccccc34)O5)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine?
The InChIKey is JVAOBKGODNEPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2O/c1-53(2)41-19-11-9-17-37(41)39-28-26-34(31-44(39)53)56(35-27-29-40-38-18-10-12-20-42(38)54(3,4)45(40)32-35)46-22-14-23-47-50(46)55(5,6)43-21-13-24-48-52(43)57(47)51-36-16-8-7-15-33(36)25-30-49(51)58-48/h7-32H,1-6H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine has a molecular weight of 748.97 g/mol, XLogP of 15.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine is sourced from PubChem (CID 170656639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).