6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine

C78H56N4S — CID 88856266

IUPAC6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c5sc6c(ccc7c6c6cc(N(c8ccccc8)c8ccccc8)ccc6n7-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5ccc43)cc21
InChIInChI=1S/C78H56N4S/c1-77(2)65-31-19-17-29-57(65)59-37-33-55(47-67(59)77)81-69-41-35-53(79(49-21-9-5-10-22-49)50-23-11-6-12-24-50)45-63(69)73-71(81)43-39-61-62-40-44-72-74(76(62)83-75(61)73)64-46-54(80(51-25-13-7-14-26-51)52-27-15-8-16-28-52)36-42-70(64)82(72)56-34-38-60-58-30-18-20-32-66(58)78(3,4)68(60)48-56/h5-48H,1-4H3
InChIKeyPKXXQMFVZJEHBL-UHFFFAOYSA-N
MW1081.40 g/mol
LogP21.80
Rot. Bonds8

About 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine

6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine (PubChem CID 88856266) has the molecular formula C78H56N4S and a molecular weight of 1081.40 g/mol. Its IUPAC name is 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine.

Molecular Properties

Compound Name6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
PubChem CID88856266
Molecular FormulaC78H56N4S
Molecular Weight1081.40 g/mol
Exact Mass1080.42
IUPAC Name6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c5sc6c(ccc7c6c6cc(N(c8ccccc8)c8ccccc8)ccc6n7-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5ccc43)cc21
InChIInChI=1S/C78H56N4S/c1-77(2)65-31-19-17-29-57(65)59-37-33-55(47-67(59)77)81-69-41-35-53(79(49-21-9-5-10-22-49)50-23-11-6-12-24-50)45-63(69)73-71(81)43-39-61-62-40-44-72-74(76(62)83-75(61)73)64-46-54(80(51-25-13-7-14-26-51)52-27-15-8-16-28-52)36-42-70(64)82(72)56-34-38-60-58-30-18-20-32-66(58)78(3,4)68(60)48-56/h5-48H,1-4H3
InChIKeyPKXXQMFVZJEHBL-UHFFFAOYSA-N
XLogP21.80
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.40
LogP ≤ 521.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine with MolForge

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Related Compounds

4-[4-[24-(9,9-dimethylfluoren-2-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N,N-diphenylaniline
CID 118651731
N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 66585302
7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118242869
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
CID 90050684
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)phenyl]fluoren-2-amine
CID 89448271
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174605
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine
CID 169010390
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 140905672

Frequently Asked Questions

What is the IUPAC name of 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?
The IUPAC name of 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine (CID 88856266) is 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine.
What is the SMILES notation for 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?
The canonical SMILES for 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine is CC1(C)c2ccccc2-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c5sc6c(ccc7c6c6cc(N(c8ccccc8)c8ccccc8)ccc6n7-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5ccc43)cc21.
What is the InChIKey of 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?
The InChIKey is PKXXQMFVZJEHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N4S/c1-77(2)65-31-19-17-29-57(65)59-37-33-55(47-67(59)77)81-69-41-35-53(79(49-21-9-5-10-22-49)50-23-11-6-12-24-50)45-63(69)73-71(81)43-39-61-62-40-44-72-74(76(62)83-75(61)73)64-46-54(80(51-25-13-7-14-26-51)52-27-15-8-16-28-52)36-42-70(64)82(72)56-34-38-60-58-30-18-20-32-66(58)78(3,4)68(60)48-56/h5-48H,1-4H3.
What are the key properties of 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?
6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine has a molecular weight of 1081.40 g/mol, XLogP of 21.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,24-bis(9,9-dimethylfluoren-2-yl)-10-N,10-N,20-N,20-N-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine is sourced from PubChem (CID 88856266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).