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

C88H66N2O2 — CID 166033553

IUPAC6-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
SMILESCC(C)(C)c1ccccc1N(c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2ccc(N(c3ccccc3C(C)(C)C)c3cccc4c3oc3ccccc34)cc2c1-c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C88H66N2O2/c1-87(2,3)69-41-21-23-43-71(69)89(73-45-27-39-65-61-37-19-25-47-75(61)91-85(65)73)59-49-51-63-67(53-59)79(57-33-15-9-16-34-57)83-81(77(63)55-29-11-7-12-30-55)82-78(56-31-13-8-14-32-56)64-52-50-60(54-68(64)80(84(82)83)58-35-17-10-18-36-58)90(72-44-24-22-42-70(72)88(4,5)6)74-46-28-40-66-62-38-20-26-48-76(62)92-86(66)74/h7-54H,1-6H3
InChIKeyQAPWSPJZAQFXQZ-UHFFFAOYSA-N
MW1183.51 g/mol
LogP25.64
Rot. Bonds10

About 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

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 (PubChem CID 166033553) has the molecular formula C88H66N2O2 and a molecular weight of 1183.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID166033553
Molecular FormulaC88H66N2O2
Molecular Weight1183.51 g/mol
Exact Mass1182.51
IUPAC Name6-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
SMILESCC(C)(C)c1ccccc1N(c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2ccc(N(c3ccccc3C(C)(C)C)c3cccc4c3oc3ccccc34)cc2c1-c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C88H66N2O2/c1-87(2,3)69-41-21-23-43-71(69)89(73-45-27-39-65-61-37-19-25-47-75(61)91-85(65)73)59-49-51-63-67(53-59)79(57-33-15-9-16-34-57)83-81(77(63)55-29-11-7-12-30-55)82-78(56-31-13-8-14-32-56)64-52-50-60(54-68(64)80(84(82)83)58-35-17-10-18-36-58)90(72-44-24-22-42-70(72)88(4,5)6)74-46-28-40-66-62-38-20-26-48-76(62)92-86(66)74/h7-54H,1-6H3
InChIKeyQAPWSPJZAQFXQZ-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(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 with MolForge

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Related Compounds

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
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
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine
CID 89254520
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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628
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
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
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163507001
7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(3-phenylphenyl)pyrene-1,3-diamine
CID 122578917

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccccc1N(c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2ccc(N(c3ccccc3C(C)(C)C)c3cccc4c3oc3ccccc34)cc2c1-c1ccccc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of 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?
The InChIKey is QAPWSPJZAQFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H66N2O2/c1-87(2,3)69-41-21-23-43-71(69)89(73-45-27-39-65-61-37-19-25-47-75(61)91-85(65)73)59-49-51-63-67(53-59)79(57-33-15-9-16-34-57)83-81(77(63)55-29-11-7-12-30-55)82-78(56-31-13-8-14-32-56)64-52-50-60(54-68(64)80(84(82)83)58-35-17-10-18-36-58)90(72-44-24-22-42-70(72)88(4,5)6)74-46-28-40-66-62-38-20-26-48-76(62)92-86(66)74/h7-54H,1-6H3.
What are the key properties of 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?
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 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(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 is sourced from PubChem (CID 166033553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).