6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine

C88H66N2O2 — CID 166033534

IUPAC6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
SMILESCC(C)(C)c1cccc(N(c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2c-4c(-c3ccccc3)c3ccc(N(c4cccc(C(C)(C)C)c4)c4cccc5c4oc4ccccc45)cc3c2-c2ccccc2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C88H66N2O2/c1-87(2,3)59-35-23-37-61(51-59)89(73-43-25-41-69-65-39-19-21-45-75(65)91-85(69)73)63-47-49-67-71(53-63)79(57-31-15-9-16-32-57)83-81(77(67)55-27-11-7-12-28-55)82-78(56-29-13-8-14-30-56)68-50-48-64(54-72(68)80(84(82)83)58-33-17-10-18-34-58)90(62-38-24-36-60(52-62)88(4,5)6)74-44-26-42-70-66-40-20-22-46-76(66)92-86(70)74/h7-54H,1-6H3
InChIKeyKUVJUHWIFPTVFI-UHFFFAOYSA-N
MW1183.51 g/mol
LogP25.64
Rot. Bonds10

About 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine

6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine (PubChem CID 166033534) has the molecular formula C88H66N2O2 and a molecular weight of 1183.51 g/mol. Its IUPAC name is 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine.

Molecular Properties

Compound Name6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
PubChem CID166033534
Molecular FormulaC88H66N2O2
Molecular Weight1183.51 g/mol
Exact Mass1182.51
IUPAC Name6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
SMILESCC(C)(C)c1cccc(N(c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2c-4c(-c3ccccc3)c3ccc(N(c4cccc(C(C)(C)C)c4)c4cccc5c4oc4ccccc45)cc3c2-c2ccccc2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C88H66N2O2/c1-87(2,3)59-35-23-37-61(51-59)89(73-43-25-41-69-65-39-19-21-45-75(65)91-85(69)73)63-47-49-67-71(53-63)79(57-31-15-9-16-32-57)83-81(77(67)55-27-11-7-12-28-55)82-78(56-29-13-8-14-30-56)68-50-48-64(54-72(68)80(84(82)83)58-33-17-10-18-34-58)90(62-38-24-36-60(52-62)88(4,5)6)74-44-26-42-70-66-40-20-22-46-76(66)92-86(70)74/h7-54H,1-6H3
InChIKeyKUVJUHWIFPTVFI-UHFFFAOYSA-N
XLogP25.64
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.51
LogP ≤ 525.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine with MolForge

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Related Compounds

6-N,17-N-bis(2-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033553
6-N,17-N-di(dibenzofuran-4-yl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033482
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633662
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine
CID 89254520
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 169062439
N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 169062757
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
6-N,16-N-bis(3-methyldibenzofuran-4-yl)-6-N,16-N-bis(2-methylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033167

Frequently Asked Questions

What is the IUPAC name of 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine?
The IUPAC name of 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine (CID 166033534) is 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine.
What is the SMILES notation for 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine?
The canonical SMILES for 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine is CC(C)(C)c1cccc(N(c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2c-4c(-c3ccccc3)c3ccc(N(c4cccc(C(C)(C)C)c4)c4cccc5c4oc4ccccc45)cc3c2-c2ccccc2)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine?
The InChIKey is KUVJUHWIFPTVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H66N2O2/c1-87(2,3)59-35-23-37-61(51-59)89(73-43-25-41-69-65-39-19-21-45-75(65)91-85(69)73)63-47-49-67-71(53-63)79(57-31-15-9-16-32-57)83-81(77(67)55-27-11-7-12-28-55)82-78(56-29-13-8-14-30-56)68-50-48-64(54-72(68)80(84(82)83)58-33-17-10-18-34-58)90(62-38-24-36-60(52-62)88(4,5)6)74-44-26-42-70-66-40-20-22-46-76(66)92-86(70)74/h7-54H,1-6H3.
What are the key properties of 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine?
6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine has a molecular weight of 1183.51 g/mol, XLogP of 25.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine is sourced from PubChem (CID 166033534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).