N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine

C164H130N6O — CID 160939308

IUPACN-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine
SMILESC1=CCC2C=Cc3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc3C2=C1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc2c(c1)-c1c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C58H46N2.C54H44N2.C52H40N2O/c1-2-11-40(12-3-1)41-21-23-42(24-22-41)43-25-27-46(28-26-43)59(47-29-31-48(32-30-47)60-54-18-8-5-13-49(54)50-14-6-9-19-55(50)60)56-20-10-17-53-57(56)51-15-4-7-16-52(51)58(53)44-34-38-33-39(36-44)37-45(58)35-38;1-2-11-43-36(10-1)20-21-37-33-42(26-27-44(37)43)55(40-22-24-41(25-23-40)56-50-17-7-4-12-45(50)46-13-5-8-18-51(46)56)52-19-9-16-49-53(52)47-14-3-6-15-48(47)54(49)38-29-34-28-35(31-38)32-39(54)30-34;1-5-14-44-43(13-1)51-45(52(44)34-27-32-26-33(29-34)30-35(52)28-32)15-9-18-48(51)53(38-24-25-42-41-12-4-8-19-49(41)55-50(42)31-38)36-20-22-37(23-21-36)54-46-16-6-2-10-39(46)40-11-3-7-17-47(40)54/h1-32,38-39,44-45H,33-37H2;1-9,11-27,33-36,38-39H,10,28-32H2;1-25,31-35H,26-30H2
InChIKeySUHHYRNKMNPEEL-UHFFFAOYSA-N
MW2200.88 g/mol
LogP43.15
Rot. Bonds14

About N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine

N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine (PubChem CID 160939308) has the molecular formula C164H130N6O and a molecular weight of 2200.88 g/mol. Its IUPAC name is N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine
PubChem CID160939308
Molecular FormulaC164H130N6O
Molecular Weight2200.88 g/mol
Exact Mass2199.03
IUPAC NameN-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine
SMILESC1=CCC2C=Cc3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc3C2=C1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc2c(c1)-c1c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C58H46N2.C54H44N2.C52H40N2O/c1-2-11-40(12-3-1)41-21-23-42(24-22-41)43-25-27-46(28-26-43)59(47-29-31-48(32-30-47)60-54-18-8-5-13-49(54)50-14-6-9-19-55(50)60)56-20-10-17-53-57(56)51-15-4-7-16-52(51)58(53)44-34-38-33-39(36-44)37-45(58)35-38;1-2-11-43-36(10-1)20-21-37-33-42(26-27-44(37)43)55(40-22-24-41(25-23-40)56-50-17-7-4-12-45(50)46-13-5-8-18-51(46)56)52-19-9-16-49-53(52)47-14-3-6-15-48(47)54(49)38-29-34-28-35(31-38)32-39(54)30-34;1-5-14-44-43(13-1)51-45(52(44)34-27-32-26-33(29-34)30-35(52)28-32)15-9-18-48(51)53(38-24-25-42-41-12-4-8-19-49(41)55-50(42)31-38)36-20-22-37(23-21-36)54-46-16-6-2-10-39(46)40-11-3-7-17-47(40)54/h1-32,38-39,44-45H,33-37H2;1-9,11-27,33-36,38-39H,10,28-32H2;1-25,31-35H,26-30H2
InChIKeySUHHYRNKMNPEEL-UHFFFAOYSA-N
XLogP43.15
TPSA37.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms171
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002200.88
LogP ≤ 543.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine?
The IUPAC name of N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine (CID 160939308) is N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine.
What is the SMILES notation for N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine?
The canonical SMILES for N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine is C1=CCC2C=Cc3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc3C2=C1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc2c(c1)-c1c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine?
The InChIKey is SUHHYRNKMNPEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2.C54H44N2.C52H40N2O/c1-2-11-40(12-3-1)41-21-23-42(24-22-41)43-25-27-46(28-26-43)59(47-29-31-48(32-30-47)60-54-18-8-5-13-49(54)50-14-6-9-19-55(50)60)56-20-10-17-53-57(56)51-15-4-7-16-52(51)58(53)44-34-38-33-39(36-44)37-45(58)35-38;1-2-11-43-36(10-1)20-21-37-33-42(26-27-44(37)43)55(40-22-24-41(25-23-40)56-50-17-7-4-12-45(50)46-13-5-8-18-51(46)56)52-19-9-16-49-53(52)47-14-3-6-15-48(47)54(49)38-29-34-28-35(31-38)32-39(54)30-34;1-5-14-44-43(13-1)51-45(52(44)34-27-32-26-33(29-34)30-35(52)28-32)15-9-18-48(51)53(38-24-25-42-41-12-4-8-19-49(41)55-50(42)31-38)36-20-22-37(23-21-36)54-46-16-6-2-10-39(46)40-11-3-7-17-47(40)54/h1-32,38-39,44-45H,33-37H2;1-9,11-27,33-36,38-39H,10,28-32H2;1-25,31-35H,26-30H2.
What are the key properties of N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine?
N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine has a molecular weight of 2200.88 g/mol, XLogP of 43.15, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine is sourced from PubChem (CID 160939308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).