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

C87H64N2O2 — CID 90140065

IUPAC12,12-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
SMILESCCCc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(CCC)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C87H64N2O2/c1-3-25-57-47-51-63(52-48-57)88(77-45-23-43-73-71-41-21-39-65(83(71)90-85(73)77)59-27-9-5-10-28-59)79-55-75-81(69-37-19-17-35-67(69)79)82-70-38-20-18-36-68(70)80(56-76(82)87(75,61-31-13-7-14-32-61)62-33-15-8-16-34-62)89(64-53-49-58(26-4-2)50-54-64)78-46-24-44-74-72-42-22-40-66(84(72)91-86(74)78)60-29-11-6-12-30-60/h5-24,27-56H,3-4,25-26H2,1-2H3
InChIKeyBPCUBAUQGRRNJW-UHFFFAOYSA-N
MW1169.48 g/mol
LogP24.33
Rot. Bonds14

About 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

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 (PubChem CID 90140065) 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(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.

Molecular Properties

Compound Name12,12-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
PubChem CID90140065
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(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
SMILESCCCc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(CCC)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C87H64N2O2/c1-3-25-57-47-51-63(52-48-57)88(77-45-23-43-73-71-41-21-39-65(83(71)90-85(73)77)59-27-9-5-10-28-59)79-55-75-81(69-37-19-17-35-67(69)79)82-70-38-20-18-36-68(70)80(56-76(82)87(75,61-31-13-7-14-32-61)62-33-15-8-16-34-62)89(64-53-49-58(26-4-2)50-54-64)78-46-24-44-74-72-42-22-40-66(84(72)91-86(74)78)60-29-11-6-12-30-60/h5-24,27-56H,3-4,25-26H2,1-2H3
InChIKeyBPCUBAUQGRRNJW-UHFFFAOYSA-N
XLogP24.33
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.48
LogP ≤ 524.33
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(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 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
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
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
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
4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 164724674
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
9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[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 90140171
N-[4-(9-naphthalen-2-ylfluoren-9-yl)phenyl]-N,6-diphenyldibenzofuran-4-amine
CID 138669005
N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134415343
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842

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(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(CCC)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 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?
The InChIKey is BPCUBAUQGRRNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H64N2O2/c1-3-25-57-47-51-63(52-48-57)88(77-45-23-43-73-71-41-21-39-65(83(71)90-85(73)77)59-27-9-5-10-28-59)79-55-75-81(69-37-19-17-35-67(69)79)82-70-38-20-18-36-68(70)80(56-76(82)87(75,61-31-13-7-14-32-61)62-33-15-8-16-34-62)89(64-53-49-58(26-4-2)50-54-64)78-46-24-44-74-72-42-22-40-66(84(72)91-86(74)78)60-29-11-6-12-30-60/h5-24,27-56H,3-4,25-26H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1169.48 g/mol, XLogP of 24.33, 14 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(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 is sourced from PubChem (CID 90140065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).