8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine

C156H114N4O6 — CID 167090878

About 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine

8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine (PubChem CID 167090878) has the molecular formula C156H114N4O6 and a molecular weight of 2140.65 g/mol. Its IUPAC name is 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine.

Molecular Properties

• Compound Name: 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
• PubChem CID: 167090878
• Molecular Formula: C156H114N4O6
• Molecular Weight: 2140.65 g/mol
• Exact Mass: 2138.87
• IUPAC Name: 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
• SMILES: c1ccc(-c2ccc(N(c3cc4c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C8CCCC8)cccc67)c6ccc(-c7ccc(C8CCCC8)c8oc9c(N(c%10cccc(-c%11ccccc%11)c%10)c%10cc%11c%12cc(N(c%13cccc(-c%14ccccc%14)c%13)c%13cccc%14c%13oc%13c(C%15CCCC%15)cccc%13%14)c%13ccccc%13c%12oc%11c%11ccccc%10%11)cccc9c78)cc6c5oc4c4ccccc34)c3cccc4c3oc3c(C5CCCC5)cccc34)cc2)cc1
• InChI: InChI=1S/C156H114N4O6/c1-5-36-95(37-6-1)99-76-81-108(82-77-99)157(136-72-32-68-127-124-65-29-62-113(101-44-13-14-45-101)145(124)163-152(127)136)140-91-134-135-94-143(158(109-83-78-100(79-84-109)96-38-7-2-8-39-96)137-73-33-69-128-125-66-30-63-114(102-46-15-16-47-102)146(125)164-153(128)137)120-85-80-107(90-131(120)151(135)162-150(134)121-59-24-21-56-117(121)140)112-86-87-116(104-50-19-20-51-104)156-144(112)130-71-35-75-139(155(130)166-156)160(111-55-28-53-106(89-111)98-42-11-4-12-43-98)142-93-133-132-92-141(118-57-22-25-60-122(118)148(132)161-149(133)123-61-26-23-58-119(123)142)159(110-54-27-52-105(88-110)97-40-9-3-10-41-97)138-74-34-70-129-126-67-31-64-115(103-48-17-18-49-103)147(126)165-154(129)138/h1-12,21-43,52-94,101-104H,13-20,44-51H2
• InChIKey: CWUTZRGIUYGJBA-UHFFFAOYSA-N
• XLogP: 46.54
• TPSA: 91.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2140.65
LogP ≤ 5	46.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine?

The IUPAC name of 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine (CID 167090878) is 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine.

What is the SMILES notation for 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine?

The canonical SMILES for 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine is c1ccc(-c2ccc(N(c3cc4c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C8CCCC8)cccc67)c6ccc(-c7ccc(C8CCCC8)c8oc9c(N(c%10cccc(-c%11ccccc%11)c%10)c%10cc%11c%12cc(N(c%13cccc(-c%14ccccc%14)c%13)c%13cccc%14c%13oc%13c(C%15CCCC%15)cccc%13%14)c%13ccccc%13c%12oc%11c%11ccccc%10%11)cccc9c78)cc6c5oc4c4ccccc34)c3cccc4c3oc3c(C5CCCC5)cccc34)cc2)cc1.

What is the InChIKey of 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine?

The InChIKey is CWUTZRGIUYGJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H114N4O6/c1-5-36-95(37-6-1)99-76-81-108(82-77-99)157(136-72-32-68-127-124-65-29-62-113(101-44-13-14-45-101)145(124)163-152(127)136)140-91-134-135-94-143(158(109-83-78-100(79-84-109)96-38-7-2-8-39-96)137-73-33-69-128-125-66-30-63-114(102-46-15-16-47-102)146(125)164-153(128)137)120-85-80-107(90-131(120)151(135)162-150(134)121-59-24-21-56-117(121)140)112-86-87-116(104-50-19-20-51-104)156-144(112)130-71-35-75-139(155(130)166-156)160(111-55-28-53-106(89-111)98-42-11-4-12-43-98)142-93-133-132-92-141(118-57-22-25-60-122(118)148(132)161-149(133)123-61-26-23-58-119(123)142)159(110-54-27-52-105(88-110)97-40-9-3-10-41-97)138-74-34-70-129-126-67-31-64-115(103-48-17-18-49-103)147(126)165-154(129)138/h1-12,21-43,52-94,101-104H,13-20,44-51H2.

What are the key properties of 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine?

8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine has a molecular weight of 2140.65 g/mol, XLogP of 46.54, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-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]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine is sourced from PubChem (CID 167090878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).