N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine

C160H143N3 — CID 160707834

IUPACN-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3CCc3ccccc31)c1ccccc1-2
InChIInChI=1S/C62H49N.C52H49N.C46H45N/c1-40-36-47(44-28-26-43(27-29-44)42-16-6-5-7-17-42)37-41(2)60(40)63(48-32-34-52-50-20-10-14-24-56(50)61(3,4)58(52)38-48)49-33-35-53-51-21-11-15-25-57(51)62(59(53)39-49)54-22-12-8-18-45(54)30-31-46-19-9-13-23-55(46)62;1-50(2)46-11-7-5-9-42(46)44-23-21-40(28-48(44)50)53(41-22-24-45-43-10-6-8-12-47(43)51(3,4)49(45)29-41)39-19-15-37(16-20-39)36-13-17-38(18-14-36)52-30-33-25-34(31-52)27-35(26-33)32-52;1-44(2)40-11-7-5-9-36(40)38-19-17-34(24-42(38)44)47(35-18-20-39-37-10-6-8-12-41(37)45(3,4)43(39)25-35)33-15-13-32(14-16-33)46-26-29-21-30(27-46)23-31(22-29)28-46/h5-29,32-39H,30-31H2,1-4H3;5-24,28-29,33-35H,25-27,30-32H2,1-4H3;5-20,24-25,29-31H,21-23,26-28H2,1-4H3
InChIKeyRRLPUKDBOSEEFR-UHFFFAOYSA-N
MW2107.92 g/mol
LogP42.02
Rot. Bonds14

About N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine

N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine (PubChem CID 160707834) has the molecular formula C160H143N3 and a molecular weight of 2107.92 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine
PubChem CID160707834
Molecular FormulaC160H143N3
Molecular Weight2107.92 g/mol
Exact Mass2106.13
IUPAC NameN-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3CCc3ccccc31)c1ccccc1-2
InChIInChI=1S/C62H49N.C52H49N.C46H45N/c1-40-36-47(44-28-26-43(27-29-44)42-16-6-5-7-17-42)37-41(2)60(40)63(48-32-34-52-50-20-10-14-24-56(50)61(3,4)58(52)38-48)49-33-35-53-51-21-11-15-25-57(51)62(59(53)39-49)54-22-12-8-18-45(54)30-31-46-19-9-13-23-55(46)62;1-50(2)46-11-7-5-9-42(46)44-23-21-40(28-48(44)50)53(41-22-24-45-43-10-6-8-12-47(43)51(3,4)49(45)29-41)39-19-15-37(16-20-39)36-13-17-38(18-14-36)52-30-33-25-34(31-52)27-35(26-33)32-52;1-44(2)40-11-7-5-9-36(40)38-19-17-34(24-42(38)44)47(35-18-20-39-37-10-6-8-12-41(37)45(3,4)43(39)25-35)33-15-13-32(14-16-33)46-26-29-21-30(27-46)23-31(22-29)28-46/h5-29,32-39H,30-31H2,1-4H3;5-24,28-29,33-35H,25-27,30-32H2,1-4H3;5-20,24-25,29-31H,21-23,26-28H2,1-4H3
InChIKeyRRLPUKDBOSEEFR-UHFFFAOYSA-N
XLogP42.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms163
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002107.92
LogP ≤ 542.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine (CID 160707834) is N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3CCc3ccccc31)c1ccccc1-2.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine?
The InChIKey is RRLPUKDBOSEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N.C52H49N.C46H45N/c1-40-36-47(44-28-26-43(27-29-44)42-16-6-5-7-17-42)37-41(2)60(40)63(48-32-34-52-50-20-10-14-24-56(50)61(3,4)58(52)38-48)49-33-35-53-51-21-11-15-25-57(51)62(59(53)39-49)54-22-12-8-18-45(54)30-31-46-19-9-13-23-55(46)62;1-50(2)46-11-7-5-9-42(46)44-23-21-40(28-48(44)50)53(41-22-24-45-43-10-6-8-12-47(43)51(3,4)49(45)29-41)39-19-15-37(16-20-39)36-13-17-38(18-14-36)52-30-33-25-34(31-52)27-35(26-33)32-52;1-44(2)40-11-7-5-9-36(40)38-19-17-34(24-42(38)44)47(35-18-20-39-37-10-6-8-12-41(37)45(3,4)43(39)25-35)33-15-13-32(14-16-33)46-26-29-21-30(27-46)23-31(22-29)28-46/h5-29,32-39H,30-31H2,1-4H3;5-24,28-29,33-35H,25-27,30-32H2,1-4H3;5-20,24-25,29-31H,21-23,26-28H2,1-4H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine?
N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine has a molecular weight of 2107.92 g/mol, XLogP of 42.02, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine is sourced from PubChem (CID 160707834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).