10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine

C64H44N2O — CID 118359928

IUPAC10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
SMILESCC1(C)c2c(-c3ccccc3)cccc2-c2cccc(N(c3ccccc3)c3cc4ccc5cc(N(c6ccccc6)c6cccc7c6Cc6ccccc6-7)cc6c5c4c4c(cccc34)O6)c21
InChIInChI=1S/C64H44N2O/c1-64(2)62-48(40-18-6-3-7-19-40)26-14-28-50(62)51-29-16-32-55(63(51)64)66(45-23-10-5-11-24-45)56-38-43-35-34-42-36-46(39-58-59(42)60(43)61-52(56)30-17-33-57(61)67-58)65(44-21-8-4-9-22-44)54-31-15-27-49-47-25-13-12-20-41(47)37-53(49)54/h3-36,38-39H,37H2,1-2H3
InChIKeyOKYYVIYHEGDNIW-UHFFFAOYSA-N
MW857.07 g/mol
LogP17.74
Rot. Bonds7

About 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine

10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine (PubChem CID 118359928) has the molecular formula C64H44N2O and a molecular weight of 857.07 g/mol. Its IUPAC name is 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine.

Molecular Properties

Compound Name10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
PubChem CID118359928
Molecular FormulaC64H44N2O
Molecular Weight857.07 g/mol
Exact Mass856.35
IUPAC Name10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
SMILESCC1(C)c2c(-c3ccccc3)cccc2-c2cccc(N(c3ccccc3)c3cc4ccc5cc(N(c6ccccc6)c6cccc7c6Cc6ccccc6-7)cc6c5c4c4c(cccc34)O6)c21
InChIInChI=1S/C64H44N2O/c1-64(2)62-48(40-18-6-3-7-19-40)26-14-28-50(62)51-29-16-32-55(63(51)64)66(45-23-10-5-11-24-45)56-38-43-35-34-42-36-46(39-58-59(42)60(43)61-52(56)30-17-33-57(61)67-58)65(44-21-8-4-9-22-44)54-31-15-27-49-47-25-13-12-20-41(47)37-53(49)54/h3-36,38-39H,37H2,1-2H3
InChIKeyOKYYVIYHEGDNIW-UHFFFAOYSA-N
XLogP17.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine with MolForge

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Related Compounds

3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359824
3-N-naphthalen-1-yl-10-N-naphthalen-2-yl-3-N,10-N-bis(2-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359841
3-N,10-N-di(dibenzofuran-4-yl)-10-N-phenyl-3-N-(2-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359848
1-N,6-N-bis(9H-fluoren-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 166866292
3-N,10-N-di(dibenzothiophen-4-yl)-3-N,10-N-bis(2-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359874
3-N,10-N-bis(2,3,4,5,6-pentadeuteriophenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359830
N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine
CID 166008466
N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
CID 174308486
N-naphthalen-2-yl-10-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaen-3-amine
CID 118359926
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine
CID 163729194
13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 158536422

Frequently Asked Questions

What is the IUPAC name of 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?
The IUPAC name of 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine (CID 118359928) is 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine.
What is the SMILES notation for 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?
The canonical SMILES for 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine is CC1(C)c2c(-c3ccccc3)cccc2-c2cccc(N(c3ccccc3)c3cc4ccc5cc(N(c6ccccc6)c6cccc7c6Cc6ccccc6-7)cc6c5c4c4c(cccc34)O6)c21.
What is the InChIKey of 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?
The InChIKey is OKYYVIYHEGDNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O/c1-64(2)62-48(40-18-6-3-7-19-40)26-14-28-50(62)51-29-16-32-55(63(51)64)66(45-23-10-5-11-24-45)56-38-43-35-34-42-36-46(39-58-59(42)60(43)61-52(56)30-17-33-57(61)67-58)65(44-21-8-4-9-22-44)54-31-15-27-49-47-25-13-12-20-41(47)37-53(49)54/h3-36,38-39H,37H2,1-2H3.
What are the key properties of 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?
10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine has a molecular weight of 857.07 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine is sourced from PubChem (CID 118359928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).