N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine

C57H53N — CID 145345937

IUPACN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3cc4c(c5c3C=CCC5)CCC=C4)cc21
InChIInChI=1S/C57H53N/c1-56(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/h3,6-9,12-28,32-33,37-39H,4-5,10-11,29-31,34-36H2,1-2H3
InChIKeyZEDMAFWTNCIHJI-UHFFFAOYSA-N
MW752.06 g/mol
LogP15.18
Rot. Bonds6

About N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine (PubChem CID 145345937) has the molecular formula C57H53N and a molecular weight of 752.06 g/mol. Its IUPAC name is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine
PubChem CID145345937
Molecular FormulaC57H53N
Molecular Weight752.06 g/mol
Exact Mass751.42
IUPAC NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3cc4c(c5c3C=CCC5)CCC=C4)cc21
InChIInChI=1S/C57H53N/c1-56(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/h3,6-9,12-28,32-33,37-39H,4-5,10-11,29-31,34-36H2,1-2H3
InChIKeyZEDMAFWTNCIHJI-UHFFFAOYSA-N
XLogP15.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.06
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663
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
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-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 130203887
7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 146578864
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-naphthalen-1-ylphenyl)fluoren-2-amine
CID 130204057
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130203868
N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 156556632

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine?
The IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine (CID 145345937) is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine.
What is the SMILES notation for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine?
The canonical SMILES for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3cc4c(c5c3C=CCC5)CCC=C4)cc21.
What is the InChIKey of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine?
The InChIKey is ZEDMAFWTNCIHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H53N/c1-56(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/h3,6-9,12-28,32-33,37-39H,4-5,10-11,29-31,34-36H2,1-2H3.
What are the key properties of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine?
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-3,4,5,6-tetrahydrophenanthren-9-amine has a molecular weight of 752.06 g/mol, XLogP of 15.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 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)-3,4,5,6-tetrahydrophenanthren-9-amine is sourced from PubChem (CID 145345937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).