9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C87H64N2O2 — CID 90140097

IUPAC9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCc1ccc(C)c(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4cc(C)ccc4C)c4cccc5c4oc4c(-c6ccccc6C)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1
InChIInChI=1S/C87H64N2O2/c1-53-45-47-57(5)77(49-53)88(75-43-23-41-71-69-39-21-37-67(83(69)90-85(71)75)61-31-15-13-25-55(61)3)79-51-73-81(65-35-19-17-33-63(65)79)82-66-36-20-18-34-64(66)80(52-74(82)87(73,59-27-9-7-10-28-59)60-29-11-8-12-30-60)89(78-50-54(2)46-48-58(78)6)76-44-24-42-72-70-40-22-38-68(84(70)91-86(72)76)62-32-16-14-26-56(62)4/h7-52H,1-6H3
InChIKeyHZEYRLULPQXLQY-UHFFFAOYSA-N
MW1169.48 g/mol
LogP24.28
Rot. Bonds10

About 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 90140097) has the molecular formula C87H64N2O2 and a molecular weight of 1169.48 g/mol. Its IUPAC name is 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID90140097
Molecular FormulaC87H64N2O2
Molecular Weight1169.48 g/mol
Exact Mass1168.50
IUPAC Name9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCc1ccc(C)c(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4cc(C)ccc4C)c4cccc5c4oc4c(-c6ccccc6C)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1
InChIInChI=1S/C87H64N2O2/c1-53-45-47-57(5)77(49-53)88(75-43-23-41-71-69-39-21-37-67(83(69)90-85(71)75)61-31-15-13-25-55(61)3)79-51-73-81(65-35-19-17-33-63(65)79)82-66-36-20-18-34-64(66)80(52-74(82)87(73,59-27-9-7-10-28-59)60-29-11-8-12-30-60)89(78-50-54(2)46-48-58(78)6)76-44-24-42-72-70-40-22-38-68(84(70)91-86(72)76)62-32-16-14-26-56(62)4/h7-52H,1-6H3
InChIKeyHZEYRLULPQXLQY-UHFFFAOYSA-N
XLogP24.28
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.48
LogP ≤ 524.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine with MolForge

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Related Compounds

12,12-diphenyl-9-N,15-N-bis(6-phenyldibenzofuran-4-yl)-9-N,15-N-bis(3,4,5-trimethylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140073
4-N,20-N-bis(2,5-dimethylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-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 90263154
4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-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 90263201
9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140153
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
9-N,15-N-di(dibenzofuran-4-yl)-12,12-diphenyl-9-N,15-N-bis(3,4,5-trimethylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140037
12,12-diphenyl-9-N,15-N-bis(6-phenyldibenzofuran-4-yl)-9-N,15-N-bis(4-propylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140065
7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139897
20-N-[6-[2-methyl-3-[2-methyl-3-[6-(2-methyl-N-[20-(2-methyl-N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-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]anilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-4-N,20-N-diphenyl-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 167304320
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 146526608
9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137416165
N-(2,5-dimethylphenyl)-N-(4-methylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-amine
CID 137494379

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 90140097) is 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is Cc1ccc(C)c(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4cc(C)ccc4C)c4cccc5c4oc4c(-c6ccccc6C)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1.
What is the InChIKey of 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is HZEYRLULPQXLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H64N2O2/c1-53-45-47-57(5)77(49-53)88(75-43-23-41-71-69-39-21-37-67(83(69)90-85(71)75)61-31-15-13-25-55(61)3)79-51-73-81(65-35-19-17-33-63(65)79)82-66-36-20-18-34-64(66)80(52-74(82)87(73,59-27-9-7-10-28-59)60-29-11-8-12-30-60)89(78-50-54(2)46-48-58(78)6)76-44-24-42-72-70-40-22-38-68(84(70)91-86(72)76)62-32-16-14-26-56(62)4/h7-52H,1-6H3.
What are the key properties of 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 1169.48 g/mol, XLogP of 24.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 90140097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).