N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C69H47N3 — CID 139336874

IUPACN-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccc7c(-c8ccccc8)c(-c8ccccc8)n8c9ccccc9c9cc%10ccccc%10c5c9c6c78)cc4)cc3)cc21
InChIInChI=1S/C69H47N3/c1-69(2)59-28-16-14-26-54(59)55-39-38-52(43-60(55)69)70(49-23-10-5-11-24-49)50-34-30-44(31-35-50)45-32-36-51(37-33-45)71-62-41-40-57-63(46-18-6-3-7-19-46)66(47-20-8-4-9-21-47)72-61-29-17-15-27-56(61)58-42-48-22-12-13-25-53(48)67(71)64(58)65(62)68(57)72/h3-43H,1-2H3
InChIKeyCCNYTKGUTFYXCL-UHFFFAOYSA-N
MW918.16 g/mol
LogP18.71
Rot. Bonds7

About N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 139336874) has the molecular formula C69H47N3 and a molecular weight of 918.16 g/mol. Its IUPAC name is N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID139336874
Molecular FormulaC69H47N3
Molecular Weight918.16 g/mol
Exact Mass917.38
IUPAC NameN-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccc7c(-c8ccccc8)c(-c8ccccc8)n8c9ccccc9c9cc%10ccccc%10c5c9c6c78)cc4)cc3)cc21
InChIInChI=1S/C69H47N3/c1-69(2)59-28-16-14-26-54(59)55-39-38-52(43-60(55)69)70(49-23-10-5-11-24-49)50-34-30-44(31-35-50)45-32-36-51(37-33-45)71-62-41-40-57-63(46-18-6-3-7-19-46)66(47-20-8-4-9-21-47)72-61-29-17-15-27-56(61)58-42-48-22-12-13-25-53(48)67(71)64(58)65(62)68(57)72/h3-43H,1-2H3
InChIKeyCCNYTKGUTFYXCL-UHFFFAOYSA-N
XLogP18.71
TPSA12.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.16
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]fluoren-2-amine
CID 134552429
N-(9,9-dimethylfluoren-2-yl)-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 174305786
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2,3-diphenylpyrrolo[1,2-f]phenanthridin-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134394229
N-(9,9-dimethylfluoren-2-yl)-N-[7-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 58161684
9,9-dimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;9-phenyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]carbazol-3-amine;4-(1,2,3-triphenylbenzo[g]indol-6-yl)-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline
CID 160966968
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(1,2,3-triphenylbenzo[e]indol-7-yl)phenyl]fluoren-2-amine
CID 134395151
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58161729
N-(9,9-dimethylfluoren-2-yl)-1,2,3-triphenyl-N-(4-phenylphenyl)phenanthro[9,10-b]pyrrol-6-amine;9,9-dimethyl-N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(1,3-diphenylpyrrolo[1,2-f]phenanthridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 161137315
N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine
CID 58161690
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 139336874) is N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccc7c(-c8ccccc8)c(-c8ccccc8)n8c9ccccc9c9cc%10ccccc%10c5c9c6c78)cc4)cc3)cc21.
What is the InChIKey of N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is CCNYTKGUTFYXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3/c1-69(2)59-28-16-14-26-54(59)55-39-38-52(43-60(55)69)70(49-23-10-5-11-24-49)50-34-30-44(31-35-50)45-32-36-51(37-33-45)71-62-41-40-57-63(46-18-6-3-7-19-46)66(47-20-8-4-9-21-47)72-61-29-17-15-27-56(61)58-42-48-22-12-13-25-53(48)67(71)64(58)65(62)68(57)72/h3-43H,1-2H3.
What are the key properties of N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 918.16 g/mol, XLogP of 18.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(19,20-diphenyl-18,26-diazaheptacyclo[16.6.1.13,24.02,11.04,9.012,17.021,25]hexacosa-1(24),2,4,6,8,10,12,14,16,19,21(25),22-dodecaen-26-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 139336874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).