N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine

C54H52N2 — CID 70885735

IUPACN-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3cccc(N(C4=CC=CCC4)c4cc5c6c(c4)C(C)(C)c4cccc7c4N6c4c(cccc4C5(C)C)C7(C)C)c3)cc21
InChIInChI=1S/C54H52N2/c1-51(2)40-22-13-12-21-38(40)39-28-27-34(30-45(39)51)33-17-14-20-36(29-33)55(35-18-10-9-11-19-35)37-31-46-50-47(32-37)54(7,8)44-26-16-24-42-49(44)56(50)48-41(52(42,3)4)23-15-25-43(48)53(46,5)6/h9-10,13-18,20,22-32H,11-12,19,21H2,1-8H3
InChIKeyBPAXMXJSGWQSBY-UHFFFAOYSA-N
MW729.02 g/mol
LogP14.51
Rot. Bonds4

About N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine

N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine (PubChem CID 70885735) has the molecular formula C54H52N2 and a molecular weight of 729.02 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
PubChem CID70885735
Molecular FormulaC54H52N2
Molecular Weight729.02 g/mol
Exact Mass728.41
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3cccc(N(C4=CC=CCC4)c4cc5c6c(c4)C(C)(C)c4cccc7c4N6c4c(cccc4C5(C)C)C7(C)C)c3)cc21
InChIInChI=1S/C54H52N2/c1-51(2)40-22-13-12-21-38(40)39-28-27-34(30-45(39)51)33-17-14-20-36(29-33)55(35-18-10-9-11-19-35)37-31-46-50-47(32-37)54(7,8)44-26-16-24-42-49(44)56(50)48-41(52(42,3)4)23-15-25-43(48)53(46,5)6/h9-10,13-18,20,22-32H,11-12,19,21H2,1-8H3
InChIKeyBPAXMXJSGWQSBY-UHFFFAOYSA-N
XLogP14.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.02
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine with MolForge

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Related Compounds

5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89065475
5-[4-[(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)amino]phenyl]-8,8,14,14-tetramethyl-N,N-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine
CID 90779509
N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
CID 89187193
N-[3-[7-[3-[(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-(9,9-dimethylfluoren-2-yl)amino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89356016
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-phenyl-5-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)benzene-1,3-diamine
CID 129311142
N-cyclohexa-1,3-dien-1-yl-11-[5-[di(cyclohexa-1,5-dien-1-yl)amino]-2-bicyclo[4.4.1]undeca-1(11),2,4,9-tetraen-7-ynyl]-8,8,14,14,22,22-hexamethyl-N-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
CID 91164958
5-[4-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 91599426
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
CID 167218680

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine (CID 70885735) is N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine is CC1(C)C2=C(CCC=C2)c2ccc(-c3cccc(N(C4=CC=CCC4)c4cc5c6c(c4)C(C)(C)c4cccc7c4N6c4c(cccc4C5(C)C)C7(C)C)c3)cc21.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
The InChIKey is BPAXMXJSGWQSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N2/c1-51(2)40-22-13-12-21-38(40)39-28-27-34(30-45(39)51)33-17-14-20-36(29-33)55(35-18-10-9-11-19-35)37-31-46-50-47(32-37)54(7,8)44-26-16-24-42-49(44)56(50)48-41(52(42,3)4)23-15-25-43(48)53(46,5)6/h9-10,13-18,20,22-32H,11-12,19,21H2,1-8H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine has a molecular weight of 729.02 g/mol, XLogP of 14.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine is sourced from PubChem (CID 70885735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).