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

C58H44N2O — CID 170656276

IUPACN-[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4cccc6c4N5c4c(ccc5ccccc45)O6)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H44N2O/c1-57(2)47-21-12-10-20-45(47)46-32-31-42(36-49(46)57)59(51-23-13-11-18-43(51)38-15-6-5-7-16-38)41-29-25-37(26-30-41)40-27-33-52-50(35-40)58(3,4)48-22-14-24-53-56(48)60(52)55-44-19-9-8-17-39(44)28-34-54(55)61-53/h5-36H,1-4H3
InChIKeyFWLPBZUZLILJLH-UHFFFAOYSA-N
MW785.00 g/mol
LogP16.16
Rot. Bonds5

About 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

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 (PubChem CID 170656276) has the molecular formula C58H44N2O and a molecular weight of 785.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170656276
Molecular FormulaC58H44N2O
Molecular Weight785.00 g/mol
Exact Mass784.35
IUPAC NameN-[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4cccc6c4N5c4c(ccc5ccccc45)O6)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H44N2O/c1-57(2)47-21-12-10-20-45(47)46-32-31-42(36-49(46)57)59(51-23-13-11-18-43(51)38-15-6-5-7-16-38)41-29-25-37(26-30-41)40-27-33-52-50(35-40)58(3,4)48-22-14-24-53-56(48)60(52)55-44-19-9-8-17-39(44)28-34-54(55)61-53/h5-36H,1-4H3
InChIKeyFWLPBZUZLILJLH-UHFFFAOYSA-N
XLogP16.16
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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-(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]-N-(4-phenylphenyl)naphthalen-2-amine
CID 170656581
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
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
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-[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
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-[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
14,14-dimethyl-N-naphthalen-1-yl-N-(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-17-amine
CID 170656255
N-(4-phenylphenyl)-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]naphthalen-1-amine
CID 170656499
18,18-dimethyl-N-(4-phenylphenyl)-N-triphenylen-2-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(24),20,22-undecaen-22-amine
CID 170656690
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4cccc6c4N5c4c(ccc5ccccc45)O6)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 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?
The InChIKey is FWLPBZUZLILJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O/c1-57(2)47-21-12-10-20-45(47)46-32-31-42(36-49(46)57)59(51-23-13-11-18-43(51)38-15-6-5-7-16-38)41-29-25-37(26-30-41)40-27-33-52-50(35-40)58(3,4)48-22-14-24-53-56(48)60(52)55-44-19-9-8-17-39(44)28-34-54(55)61-53/h5-36H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 785.00 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170656276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).