N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine

C179H153N3 — CID 159477102

IUPACN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C61H51N.C61H53N.C57H49N/c1-60(2)58-14-8-7-13-55(58)56-30-28-49(35-59(56)60)62(48-27-29-54-52-11-4-3-9-50(52)51-10-5-6-12-53(51)57(54)34-48)47-25-21-45(22-26-47)43-17-15-42(16-18-43)44-19-23-46(24-20-44)61-36-39-31-40(37-61)33-41(32-39)38-61;1-60(2)58-16-10-9-15-55(58)56-32-30-53(37-59(56)60)62(52-29-31-54(48-11-5-3-6-12-48)57(36-52)49-13-7-4-8-14-49)51-27-23-47(24-28-51)45-19-17-44(18-20-45)46-21-25-50(26-22-46)61-38-41-33-42(39-61)35-43(34-41)40-61;1-56(2)53-14-8-7-12-50(53)51-28-27-47(33-54(51)56)58(55-32-44-9-3-4-10-48(44)49-11-5-6-13-52(49)55)46-25-21-43(22-26-46)41-17-15-40(16-18-41)42-19-23-45(24-20-42)57-34-37-29-38(35-57)31-39(30-37)36-57/h3-30,34-35,39-41H,31-33,36-38H2,1-2H3;3-32,36-37,41-43H,33-35,38-40H2,1-2H3;3-28,32-33,37-39H,29-31,34-36H2,1-2H3
InChIKeyLWNBQGBNWXLPOI-UHFFFAOYSA-N
MW2346.21 g/mol
LogP48.89
Rot. Bonds20

About N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 159477102) has the molecular formula C179H153N3 and a molecular weight of 2346.21 g/mol. Its IUPAC name is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID159477102
Molecular FormulaC179H153N3
Molecular Weight2346.21 g/mol
Exact Mass2344.21
IUPAC NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C61H51N.C61H53N.C57H49N/c1-60(2)58-14-8-7-13-55(58)56-30-28-49(35-59(56)60)62(48-27-29-54-52-11-4-3-9-50(52)51-10-5-6-12-53(51)57(54)34-48)47-25-21-45(22-26-47)43-17-15-42(16-18-43)44-19-23-46(24-20-44)61-36-39-31-40(37-61)33-41(32-39)38-61;1-60(2)58-16-10-9-15-55(58)56-32-30-53(37-59(56)60)62(52-29-31-54(48-11-5-3-6-12-48)57(36-52)49-13-7-4-8-14-49)51-27-23-47(24-28-51)45-19-17-44(18-20-45)46-21-25-50(26-22-46)61-38-41-33-42(39-61)35-43(34-41)40-61;1-56(2)53-14-8-7-12-50(53)51-28-27-47(33-54(51)56)58(55-32-44-9-3-4-10-48(44)49-11-5-6-13-52(49)55)46-25-21-43(22-26-46)41-17-15-40(16-18-41)42-19-23-45(24-20-42)57-34-37-29-38(35-57)31-39(30-37)36-57/h3-30,34-35,39-41H,31-33,36-38H2,1-2H3;3-32,36-37,41-43H,33-35,38-40H2,1-2H3;3-28,32-33,37-39H,29-31,34-36H2,1-2H3
InChIKeyLWNBQGBNWXLPOI-UHFFFAOYSA-N
XLogP48.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002346.21
LogP ≤ 548.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130203868
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 130204057

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine (CID 159477102) is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.
What is the InChIKey of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is LWNBQGBNWXLPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H51N.C61H53N.C57H49N/c1-60(2)58-14-8-7-13-55(58)56-30-28-49(35-59(56)60)62(48-27-29-54-52-11-4-3-9-50(52)51-10-5-6-12-53(51)57(54)34-48)47-25-21-45(22-26-47)43-17-15-42(16-18-43)44-19-23-46(24-20-44)61-36-39-31-40(37-61)33-41(32-39)38-61;1-60(2)58-16-10-9-15-55(58)56-32-30-53(37-59(56)60)62(52-29-31-54(48-11-5-3-6-12-48)57(36-52)49-13-7-4-8-14-49)51-27-23-47(24-28-51)45-19-17-44(18-20-45)46-21-25-50(26-22-46)61-38-41-33-42(39-61)35-43(34-41)40-61;1-56(2)53-14-8-7-12-50(53)51-28-27-47(33-54(51)56)58(55-32-44-9-3-4-10-48(44)49-11-5-6-13-52(49)55)46-25-21-43(22-26-46)41-17-15-40(16-18-41)42-19-23-45(24-20-42)57-34-37-29-38(35-57)31-39(30-37)36-57/h3-30,34-35,39-41H,31-33,36-38H2,1-2H3;3-32,36-37,41-43H,33-35,38-40H2,1-2H3;3-28,32-33,37-39H,29-31,34-36H2,1-2H3.
What are the key properties of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 2346.21 g/mol, XLogP of 48.89, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 159477102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).