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

C52H44N2O — CID 170656424

IUPACN,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
SMILESCc1cccc2c1N1c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3C(C)(C)c3cccc(c31)O2
InChIInChI=1S/C52H44N2O/c1-31-15-12-23-45-48(31)54-44-22-14-21-43(47(44)52(6,7)40-20-13-24-46(55-45)49(40)54)53(32-25-27-36-34-16-8-10-18-38(34)50(2,3)41(36)29-32)33-26-28-37-35-17-9-11-19-39(35)51(4,5)42(37)30-33/h8-30H,1-7H3
InChIKeySSMCGXUUAQSBAZ-UHFFFAOYSA-N
MW712.94 g/mol
LogP14.29
Rot. Bonds3

About 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

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 (PubChem CID 170656424) has the molecular formula C52H44N2O and a molecular weight of 712.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID170656424
Molecular FormulaC52H44N2O
Molecular Weight712.94 g/mol
Exact Mass712.35
IUPAC NameN,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
SMILESCc1cccc2c1N1c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3C(C)(C)c3cccc(c31)O2
InChIInChI=1S/C52H44N2O/c1-31-15-12-23-45-48(31)54-44-22-14-21-43(47(44)52(6,7)40-20-13-24-46(55-45)49(40)54)53(32-25-27-36-34-16-8-10-18-38(34)50(2,3)41(36)29-32)33-26-28-37-35-17-9-11-19-39(35)51(4,5)42(37)30-33/h8-30H,1-7H3
InChIKeySSMCGXUUAQSBAZ-UHFFFAOYSA-N
XLogP14.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
3,14,14-trimethyl-N,N-bis(4-phenylphenyl)-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 170656518
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-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
9,9-dimethyl-N-phenyl-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),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine
CID 170656574
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-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-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-amine
CID 170656904
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(20),16,18-nonaen-18-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170656216
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(20),16,18-nonaen-17-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170657044
N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 155428212
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138476291
14,14-dimethyl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-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 170656265

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c1N1c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3C(C)(C)c3cccc(c31)O2.
What is the InChIKey of 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?
The InChIKey is SSMCGXUUAQSBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N2O/c1-31-15-12-23-45-48(31)54-44-22-14-21-43(47(44)52(6,7)40-20-13-24-46(55-45)49(40)54)53(32-25-27-36-34-16-8-10-18-38(34)50(2,3)41(36)29-32)33-26-28-37-35-17-9-11-19-39(35)51(4,5)42(37)30-33/h8-30H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 712.94 g/mol, XLogP of 14.29, 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)-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 is sourced from PubChem (CID 170656424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).