5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine

C72H70N2 — CID 170660885

IUPAC5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccc(C6CC7CCC6C7)cc5)c3)CC4)cc21
InChIInChI=1S/C72H70N2/c1-71(2)66-16-10-9-15-63(66)70-65(53-11-5-3-6-12-53)42-62(43-67(70)71)74(61-33-29-58(30-34-61)72-44-50-35-51(45-72)37-52(36-50)46-72)69-41-48-18-23-55-22-17-47(19-24-56(69)25-20-48)40-68(55)73(59-13-7-4-8-14-59)60-31-27-54(28-32-60)64-39-49-21-26-57(64)38-49/h3-17,20,22,25,27-34,40-43,49-52,57,64H,18-19,21,23-24,26,35-39,44-46H2,1-2H3
InChIKeyDKICDUAFYVEXBX-UHFFFAOYSA-N
MW963.37 g/mol
LogP18.85
Rot. Bonds9

About 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine

5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine (PubChem CID 170660885) has the molecular formula C72H70N2 and a molecular weight of 963.37 g/mol. Its IUPAC name is 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine.

Molecular Properties

Compound Name5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
PubChem CID170660885
Molecular FormulaC72H70N2
Molecular Weight963.37 g/mol
Exact Mass962.55
IUPAC Name5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccc(C6CC7CCC6C7)cc5)c3)CC4)cc21
InChIInChI=1S/C72H70N2/c1-71(2)66-16-10-9-15-63(66)70-65(53-11-5-3-6-12-53)42-62(43-67(70)71)74(61-33-29-58(30-34-61)72-44-50-35-51(45-72)37-52(36-50)46-72)69-41-48-18-23-55-22-17-47(19-24-56(69)25-20-48)40-68(55)73(59-13-7-4-8-14-59)60-31-27-54(28-32-60)64-39-49-21-26-57(64)38-49/h3-17,20,22,25,27-34,40-43,49-52,57,64H,18-19,21,23-24,26,35-39,44-46H2,1-2H3
InChIKeyDKICDUAFYVEXBX-UHFFFAOYSA-N
XLogP18.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.37
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine with MolForge

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Related Compounds

5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660747
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
CID 170405155
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
5-N-(4-cycloheptylphenyl)-11-N-(4-cyclohexylphenyl)-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660841
N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
CID 170405122
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4-phenylfluoren-2-amine
CID 168739124
N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine
CID 168739242
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(4-cyclohexylphenyl)-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168738806
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-3-naphthalen-2-ylfluoren-2-amine
CID 168738626
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739044
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739443
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739428

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
The IUPAC name of 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine (CID 170660885) is 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine.
What is the SMILES notation for 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
The canonical SMILES for 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine is CC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3cc4ccc3CCc3ccc(c(N(c5ccccc5)c5ccc(C6CC7CCC6C7)cc5)c3)CC4)cc21.
What is the InChIKey of 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
The InChIKey is DKICDUAFYVEXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H70N2/c1-71(2)66-16-10-9-15-63(66)70-65(53-11-5-3-6-12-53)42-62(43-67(70)71)74(61-33-29-58(30-34-61)72-44-50-35-51(45-72)37-52(36-50)46-72)69-41-48-18-23-55-22-17-47(19-24-56(69)25-20-48)40-68(55)73(59-13-7-4-8-14-59)60-31-27-54(28-32-60)64-39-49-21-26-57(64)38-49/h3-17,20,22,25,27-34,40-43,49-52,57,64H,18-19,21,23-24,26,35-39,44-46H2,1-2H3.
What are the key properties of 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine has a molecular weight of 963.37 g/mol, XLogP of 18.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine is sourced from PubChem (CID 170660885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).