12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine

C58H44N2O — CID 168855721

IUPAC12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5c(cccc35)-c3c(cccc3N(c3ccccc3)c3ccccc3)O4)cc21
InChIInChI=1S/C58H44N2O/c1-57(2)47-25-13-11-21-41(47)43-31-29-39(35-49(43)57)60(40-30-32-44-42-22-12-14-26-48(42)58(3,4)50(44)36-40)51-33-34-54-55-45(51)23-15-24-46(55)56-52(27-16-28-53(56)61-54)59(37-17-7-5-8-18-37)38-19-9-6-10-20-38/h5-36H,1-4H3
InChIKeyONCCEGZDDHBJNW-UHFFFAOYSA-N
MW785.00 g/mol
LogP16.16
Rot. Bonds6

About 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine

12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine (PubChem CID 168855721) has the molecular formula C58H44N2O and a molecular weight of 785.00 g/mol. Its IUPAC name is 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine.

Molecular Properties

Compound Name12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine
PubChem CID168855721
Molecular FormulaC58H44N2O
Molecular Weight785.00 g/mol
Exact Mass784.35
IUPAC Name12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5c(cccc35)-c3c(cccc3N(c3ccccc3)c3ccccc3)O4)cc21
InChIInChI=1S/C58H44N2O/c1-57(2)47-25-13-11-21-41(47)43-31-29-39(35-49(43)57)60(40-30-32-44-42-22-12-14-26-48(42)58(3,4)50(44)36-40)51-33-34-54-55-45(51)23-15-24-46(55)56-52(27-16-28-53(56)61-54)59(37-17-7-5-8-18-37)38-19-9-6-10-20-38/h5-36H,1-4H3
InChIKeyONCCEGZDDHBJNW-UHFFFAOYSA-N
XLogP16.16
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine with MolForge

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Related Compounds

12-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,12-diamine
CID 168855534
5-N,12-N-bis(9,9-dimethylfluoren-2-yl)-5-N,12-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,12-diamine
CID 166900756
10-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 168855475
12-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N-diphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855950
9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122493264
12-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855781
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-23-amine
CID 171757751
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-3-amine
CID 176597813
12-N-(9,9-dimethylfluoren-3-yl)-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855502
9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
9,9-dimethyl-N-[4-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176598288
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673

Frequently Asked Questions

What is the IUPAC name of 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine?
The IUPAC name of 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine (CID 168855721) is 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine.
What is the SMILES notation for 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine?
The canonical SMILES for 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5c(cccc35)-c3c(cccc3N(c3ccccc3)c3ccccc3)O4)cc21.
What is the InChIKey of 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine?
The InChIKey is ONCCEGZDDHBJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O/c1-57(2)47-25-13-11-21-41(47)43-31-29-39(35-49(43)57)60(40-30-32-44-42-22-12-14-26-48(42)58(3,4)50(44)36-40)51-33-34-54-55-45(51)23-15-24-46(55)56-52(27-16-28-53(56)61-54)59(37-17-7-5-8-18-37)38-19-9-6-10-20-38/h5-36H,1-4H3.
What are the key properties of 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine?
12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine has a molecular weight of 785.00 g/mol, XLogP of 16.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N,12-N-bis(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine is sourced from PubChem (CID 168855721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).