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

C87H64N2O2 — CID 90140073

IUPAC12,12-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
SMILESCc1cc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4cc(C)c(C)c(C)c4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc(C)c1C
InChIInChI=1S/C87H64N2O2/c1-53-47-63(48-54(2)57(53)5)88(77-45-25-43-73-71-41-23-39-65(83(71)90-85(73)77)59-27-11-7-12-28-59)79-51-75-81(69-37-21-19-35-67(69)79)82-70-38-22-20-36-68(70)80(52-76(82)87(75,61-31-15-9-16-32-61)62-33-17-10-18-34-62)89(64-49-55(3)58(6)56(4)50-64)78-46-26-44-74-72-42-24-40-66(84(72)91-86(74)78)60-29-13-8-14-30-60/h7-52H,1-6H3
InChIKeyZJVYBRUCRPKMKE-UHFFFAOYSA-N
MW1169.48 g/mol
LogP24.28
Rot. Bonds10

About 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

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 (PubChem CID 90140073) has the molecular formula C87H64N2O2 and a molecular weight of 1169.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12,12-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
PubChem CID90140073
Molecular FormulaC87H64N2O2
Molecular Weight1169.48 g/mol
Exact Mass1168.50
IUPAC Name12,12-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
SMILESCc1cc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4cc(C)c(C)c(C)c4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc(C)c1C
InChIInChI=1S/C87H64N2O2/c1-53-47-63(48-54(2)57(53)5)88(77-45-25-43-73-71-41-23-39-65(83(71)90-85(73)77)59-27-11-7-12-28-59)79-51-75-81(69-37-21-19-35-67(69)79)82-70-38-22-20-36-68(70)80(52-76(82)87(75,61-31-15-9-16-32-61)62-33-17-10-18-34-62)89(64-49-55(3)58(6)56(4)50-64)78-46-26-44-74-72-42-24-40-66(84(72)91-86(74)78)60-29-13-8-14-30-60/h7-52H,1-6H3
InChIKeyZJVYBRUCRPKMKE-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 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 with MolForge

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Related Compounds

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
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 90139898
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
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N,6-diphenyldibenzofuran-4-amine
CID 90140411
12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-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;12-N,18-N-bis(3-methylphenyl)-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;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-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;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163677288
9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 164938491
4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 164724674
4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(2-phenylphenyl)-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 90263159
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(6-methyldibenzofuran-4-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162209863

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4cc(C)c(C)c(C)c4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc(C)c1C.
What is the InChIKey of 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?
The InChIKey is ZJVYBRUCRPKMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H64N2O2/c1-53-47-63(48-54(2)57(53)5)88(77-45-25-43-73-71-41-23-39-65(83(71)90-85(73)77)59-27-11-7-12-28-59)79-51-75-81(69-37-21-19-35-67(69)79)82-70-38-22-20-36-68(70)80(52-76(82)87(75,61-31-15-9-16-32-61)62-33-17-10-18-34-62)89(64-49-55(3)58(6)56(4)50-64)78-46-26-44-74-72-42-24-40-66(84(72)91-86(74)78)60-29-13-8-14-30-60/h7-52H,1-6H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 90140073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).