5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine

C83H60N2O3 — CID 154934507

IUPAC5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine
SMILESCC1(C)CCc2c(N(c3ccc4oc5c6ccccc6ccc5c4c3)c3cccc4c3-c3ccccc3C4(C)C)ccc3cc4oc5ccc(N(c6ccc7oc8c9ccccc9ccc8c7c6)c6cccc7c6-c6ccccc6C7(C)C)cc5c4c1c23
InChIInChI=1S/C83H60N2O3/c1-81(2)42-41-59-67(85(69-28-16-26-66-76(69)58-22-12-14-24-64(58)83(66,5)6)52-34-39-71-61(45-52)56-36-30-48-18-8-10-20-54(48)80(56)88-71)37-31-49-43-73-77(78(81)74(49)59)62-46-51(33-40-72(62)86-73)84(68-27-15-25-65-75(68)57-21-11-13-23-63(57)82(65,3)4)50-32-38-70-60(44-50)55-35-29-47-17-7-9-19-53(47)79(55)87-70/h7-40,43-46H,41-42H2,1-6H3
InChIKeyHEUNBTZXBTXRRF-UHFFFAOYSA-N
MW1133.40 g/mol
LogP23.62
Rot. Bonds6

About 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine

5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine (PubChem CID 154934507) has the molecular formula C83H60N2O3 and a molecular weight of 1133.40 g/mol. Its IUPAC name is 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine.

Molecular Properties

Compound Name5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine
PubChem CID154934507
Molecular FormulaC83H60N2O3
Molecular Weight1133.40 g/mol
Exact Mass1132.46
IUPAC Name5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine
SMILESCC1(C)CCc2c(N(c3ccc4oc5c6ccccc6ccc5c4c3)c3cccc4c3-c3ccccc3C4(C)C)ccc3cc4oc5ccc(N(c6ccc7oc8c9ccccc9ccc8c7c6)c6cccc7c6-c6ccccc6C7(C)C)cc5c4c1c23
InChIInChI=1S/C83H60N2O3/c1-81(2)42-41-59-67(85(69-28-16-26-66-76(69)58-22-12-14-24-64(58)83(66,5)6)52-34-39-71-61(45-52)56-36-30-48-18-8-10-20-54(48)80(56)88-71)37-31-49-43-73-77(78(81)74(49)59)62-46-51(33-40-72(62)86-73)84(68-27-15-25-65-75(68)57-21-11-13-23-63(57)82(65,3)4)50-32-38-70-60(44-50)55-35-29-47-17-7-9-19-53(47)79(55)87-70/h7-40,43-46H,41-42H2,1-6H3
InChIKeyHEUNBTZXBTXRRF-UHFFFAOYSA-N
XLogP23.62
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.40
LogP ≤ 523.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine with MolForge

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Related Compounds

6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine
CID 154934467
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
N-chrysen-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 170140218
19,19-dimethyl-7-N,15-N-bis(naphtho[2,1-b][1]benzofuran-5-yl)-7-N,15-N-diphenyl-3-oxapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4(9),5,7,11,13,15-octaene-7,15-diamine
CID 152891100
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-4-amine
CID 174279927
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193
N-chrysen-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-3-amine
CID 170139265
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
CID 177122168
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 170044172
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170272231

Frequently Asked Questions

What is the IUPAC name of 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine?
The IUPAC name of 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine (CID 154934507) is 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine.
What is the SMILES notation for 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine?
The canonical SMILES for 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine is CC1(C)CCc2c(N(c3ccc4oc5c6ccccc6ccc5c4c3)c3cccc4c3-c3ccccc3C4(C)C)ccc3cc4oc5ccc(N(c6ccc7oc8c9ccccc9ccc8c7c6)c6cccc7c6-c6ccccc6C7(C)C)cc5c4c1c23.
What is the InChIKey of 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine?
The InChIKey is HEUNBTZXBTXRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H60N2O3/c1-81(2)42-41-59-67(85(69-28-16-26-66-76(69)58-22-12-14-24-64(58)83(66,5)6)52-34-39-71-61(45-52)56-36-30-48-18-8-10-20-54(48)80(56)88-71)37-31-49-43-73-77(78(81)74(49)59)62-46-51(33-40-72(62)86-73)84(68-27-15-25-65-75(68)57-21-11-13-23-63(57)82(65,3)4)50-32-38-70-60(44-50)55-35-29-47-17-7-9-19-53(47)79(55)87-70/h7-40,43-46H,41-42H2,1-6H3.
What are the key properties of 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine?
5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine has a molecular weight of 1133.40 g/mol, XLogP of 23.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine is sourced from PubChem (CID 154934507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).