N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine

C65H49N — CID 155221137

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3CCc3ccccc3-c3ccccc3-4)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C65H49N/c1-65(2)62-28-16-15-27-58(62)59-39-37-52(43-63(59)65)66(64-40-35-50(41-60(64)47-19-7-4-8-20-47)46-31-29-45(30-32-46)44-17-5-3-6-18-44)51-36-38-57-56-26-14-13-25-55(56)53-23-11-9-21-48(53)33-34-49-22-10-12-24-54(49)61(57)42-51/h3-32,35-43H,33-34H2,1-2H3
InChIKeyGQJAETRHBFFZIQ-UHFFFAOYSA-N
MW844.11 g/mol
LogP17.56
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine (PubChem CID 155221137) has the molecular formula C65H49N and a molecular weight of 844.11 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine
PubChem CID155221137
Molecular FormulaC65H49N
Molecular Weight844.11 g/mol
Exact Mass843.39
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3CCc3ccccc3-c3ccccc3-4)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C65H49N/c1-65(2)62-28-16-15-27-58(62)59-39-37-52(43-63(59)65)66(64-40-35-50(41-60(64)47-19-7-4-8-20-47)46-31-29-45(30-32-46)44-17-5-3-6-18-44)51-36-38-57-56-26-14-13-25-55(56)53-23-11-9-21-48(53)33-34-49-22-10-12-24-54(49)61(57)42-51/h3-32,35-43H,33-34H2,1-2H3
InChIKeyGQJAETRHBFFZIQ-UHFFFAOYSA-N
XLogP17.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.11
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 146578864
N-(9,9-dimethylfluoren-2-yl)-N-[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 146578293
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine (CID 155221137) is N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3CCc3ccccc3-c3ccccc3-4)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine?
The InChIKey is GQJAETRHBFFZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49N/c1-65(2)62-28-16-15-27-58(62)59-39-37-52(43-63(59)65)66(64-40-35-50(41-60(64)47-19-7-4-8-20-47)46-31-29-45(30-32-46)44-17-5-3-6-18-44)51-36-38-57-56-26-14-13-25-55(56)53-23-11-9-21-48(53)33-34-49-22-10-12-24-54(49)61(57)42-51/h3-32,35-43H,33-34H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine has a molecular weight of 844.11 g/mol, XLogP of 17.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(26),2(7),3,5,8,10,12,14,16,18,22,24-dodecaen-4-amine is sourced from PubChem (CID 155221137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).