13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine

C72H49N3O2 — CID 146376639

IUPAC13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc4c5ccccc5oc4c4c3c3cccc5c6c(N(c7ccccc7)c7ccc8c(c7)-c7ccccc7C8(C)C)cc7c8ccccc8oc7c6n4c35)ccc21
InChIInChI=1S/C72H49N3O2/c1-71(2)56-30-15-11-24-46(56)52-38-44(34-36-58(52)71)73(42-20-7-5-8-21-42)60-40-54-48-26-13-17-32-62(48)76-69(54)67-64(60)50-28-19-29-51-65-61(41-55-49-27-14-18-33-63(49)77-70(55)68(65)75(67)66(50)51)74(43-22-9-6-10-23-43)45-35-37-59-53(39-45)47-25-12-16-31-57(47)72(59,3)4/h5-41H,1-4H3
InChIKeyMIUNPRLETXQVMW-UHFFFAOYSA-N
MW988.20 g/mol
LogP20.19
Rot. Bonds6

About 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine

13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine (PubChem CID 146376639) has the molecular formula C72H49N3O2 and a molecular weight of 988.20 g/mol. Its IUPAC name is 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine.

Molecular Properties

Compound Name13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
PubChem CID146376639
Molecular FormulaC72H49N3O2
Molecular Weight988.20 g/mol
Exact Mass987.38
IUPAC Name13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc4c5ccccc5oc4c4c3c3cccc5c6c(N(c7ccccc7)c7ccc8c(c7)-c7ccccc7C8(C)C)cc7c8ccccc8oc7c6n4c35)ccc21
InChIInChI=1S/C72H49N3O2/c1-71(2)56-30-15-11-24-46(56)52-38-44(34-36-58(52)71)73(42-20-7-5-8-21-42)60-40-54-48-26-13-17-32-62(48)76-69(54)67-64(60)50-28-19-29-51-65-61(41-55-49-27-14-18-33-63(49)77-70(55)68(65)75(67)66(50)51)74(43-22-9-6-10-23-43)45-35-37-59-53(39-45)47-25-12-16-31-57(47)72(59,3)4/h5-41H,1-4H3
InChIKeyMIUNPRLETXQVMW-UHFFFAOYSA-N
XLogP20.19
TPSA37.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.20
LogP ≤ 520.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine with MolForge

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Related Compounds

13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376635
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
13-N,21-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376636
N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine
CID 126656552
9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
CID 164799796
13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146375962
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167177941
3-dibenzofuran-4-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 178064101
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060

Frequently Asked Questions

What is the IUPAC name of 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?
The IUPAC name of 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine (CID 146376639) is 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine.
What is the SMILES notation for 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?
The canonical SMILES for 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc4c5ccccc5oc4c4c3c3cccc5c6c(N(c7ccccc7)c7ccc8c(c7)-c7ccccc7C8(C)C)cc7c8ccccc8oc7c6n4c35)ccc21.
What is the InChIKey of 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?
The InChIKey is MIUNPRLETXQVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3O2/c1-71(2)56-30-15-11-24-46(56)52-38-44(34-36-58(52)71)73(42-20-7-5-8-21-42)60-40-54-48-26-13-17-32-62(48)76-69(54)67-64(60)50-28-19-29-51-65-61(41-55-49-27-14-18-33-63(49)77-70(55)68(65)75(67)66(50)51)74(43-22-9-6-10-23-43)45-35-37-59-53(39-45)47-25-12-16-31-57(47)72(59,3)4/h5-41H,1-4H3.
What are the key properties of 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?
13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine has a molecular weight of 988.20 g/mol, XLogP of 20.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine is sourced from PubChem (CID 146376639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).