5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C89H62F2N2 — CID 118633690

IUPAC5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3F)ccc2-c2c(-c3ccccc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4F)cc3c3cccc1c23
InChIInChI=1S/C89H62F2N2/c1-89(2)80-40-24-39-74-79-57-72(92(70-45-41-63(42-46-70)59-25-10-3-11-26-59)82-55-68(61-29-14-5-15-30-61)53-77(87(82)90)65-33-18-7-19-34-65)49-51-75(79)84(67-37-22-9-23-38-67)86(85(74)80)76-52-50-73(58-81(76)89)93(71-47-43-64(44-48-71)60-27-12-4-13-28-60)83-56-69(62-31-16-6-17-32-62)54-78(88(83)91)66-35-20-8-21-36-66/h3-58H,1-2H3
InChIKeyIXUNZEUNWVRQHC-UHFFFAOYSA-N
MW1197.49 g/mol
LogP25.19
Rot. Bonds13

About 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 118633690) has the molecular formula C89H62F2N2 and a molecular weight of 1197.49 g/mol. Its IUPAC name is 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

Compound Name5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
PubChem CID118633690
Molecular FormulaC89H62F2N2
Molecular Weight1197.49 g/mol
Exact Mass1196.49
IUPAC Name5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3F)ccc2-c2c(-c3ccccc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4F)cc3c3cccc1c23
InChIInChI=1S/C89H62F2N2/c1-89(2)80-40-24-39-74-79-57-72(92(70-45-41-63(42-46-70)59-25-10-3-11-26-59)82-55-68(61-29-14-5-15-30-61)53-77(87(82)90)65-33-18-7-19-34-65)49-51-75(79)84(67-37-22-9-23-38-67)86(85(74)80)76-52-50-73(58-81(76)89)93(71-47-43-64(44-48-71)60-27-12-4-13-28-60)83-56-69(62-31-16-6-17-32-62)54-78(88(83)91)66-35-20-8-21-36-66/h3-58H,1-2H3
InChIKeyIXUNZEUNWVRQHC-UHFFFAOYSA-N
XLogP25.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.49
LogP ≤ 525.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine with MolForge

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Related Compounds

5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 159903765
8,8-dimethyl-5-N,16-N-di(phenanthren-3-yl)-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633681
N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118633745
5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 160832651
5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N,20-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633670
5-N,16-N-di(dibenzothiophen-4-yl)-8,8-dimethyl-5-N,16-N,20-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633739
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633662
5-N-dibenzothiophen-4-yl-8,8-dimethyl-5-N,16-N,20-triphenyl-16-N-(6-phenyldibenzothiophen-4-yl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633744
N-[4-[11,11-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
2-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,10-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 122663765
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053

Frequently Asked Questions

What is the IUPAC name of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
The IUPAC name of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 118633690) is 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.
What is the SMILES notation for 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
The canonical SMILES for 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3F)ccc2-c2c(-c3ccccc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4F)cc3c3cccc1c23.
What is the InChIKey of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
The InChIKey is IXUNZEUNWVRQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H62F2N2/c1-89(2)80-40-24-39-74-79-57-72(92(70-45-41-63(42-46-70)59-25-10-3-11-26-59)82-55-68(61-29-14-5-15-30-61)53-77(87(82)90)65-33-18-7-19-34-65)49-51-75(79)84(67-37-22-9-23-38-67)86(85(74)80)76-52-50-73(58-81(76)89)93(71-47-43-64(44-48-71)60-27-12-4-13-28-60)83-56-69(62-31-16-6-17-32-62)54-78(88(83)91)66-35-20-8-21-36-66/h3-58H,1-2H3.
What are the key properties of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 1197.49 g/mol, XLogP of 25.19, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 118633690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).