N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine

C73H59N — CID 155407455

IUPACN-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)ccc2-c2ccccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C73H59N/c1-72(2)67-28-13-11-26-63(67)66-46-58(36-38-61(66)59-23-9-10-24-60(59)64-37-35-54(45-69(64)72)50-19-7-4-8-20-50)74(57-22-15-21-53(44-57)52-33-31-51(32-34-52)49-17-5-3-6-18-49)70-30-16-27-65-62-25-12-14-29-68(62)73(71(65)70)55-40-47-39-48(42-55)43-56(73)41-47/h3-38,44-48,55-56H,39-43H2,1-2H3
InChIKeyVQDAUWGHOJKFMX-UHFFFAOYSA-N
MW950.28 g/mol
LogP19.52
Rot. Bonds6

About N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine

N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine (PubChem CID 155407455) has the molecular formula C73H59N and a molecular weight of 950.28 g/mol. Its IUPAC name is N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine.

Molecular Properties

Compound NameN-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine
PubChem CID155407455
Molecular FormulaC73H59N
Molecular Weight950.28 g/mol
Exact Mass949.46
IUPAC NameN-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)ccc2-c2ccccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C73H59N/c1-72(2)67-28-13-11-26-63(67)66-46-58(36-38-61(66)59-23-9-10-24-60(59)64-37-35-54(45-69(64)72)50-19-7-4-8-20-50)74(57-22-15-21-53(44-57)52-33-31-51(32-34-52)49-17-5-3-6-18-49)70-30-16-27-65-62-25-12-14-29-68(62)73(71(65)70)55-40-47-39-48(42-55)43-56(73)41-47/h3-38,44-48,55-56H,39-43H2,1-2H3
InChIKeyVQDAUWGHOJKFMX-UHFFFAOYSA-N
XLogP19.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.28
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 167413773
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216650
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176595371

Frequently Asked Questions

What is the IUPAC name of N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine?
The IUPAC name of N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine (CID 155407455) is N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine.
What is the SMILES notation for N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine?
The canonical SMILES for N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)ccc2-c2ccccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine?
The InChIKey is VQDAUWGHOJKFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H59N/c1-72(2)67-28-13-11-26-63(67)66-46-58(36-38-61(66)59-23-9-10-24-60(59)64-37-35-54(45-69(64)72)50-19-7-4-8-20-50)74(57-22-15-21-53(44-57)52-33-31-51(32-34-52)49-17-5-3-6-18-49)70-30-16-27-65-62-25-12-14-29-68(62)73(71(65)70)55-40-47-39-48(42-55)43-56(73)41-47/h3-38,44-48,55-56H,39-43H2,1-2H3.
What are the key properties of N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine?
N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine has a molecular weight of 950.28 g/mol, XLogP of 19.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine is sourced from PubChem (CID 155407455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).