9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine

C140H90N4O6 — CID 155082701

About 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine

9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 155082701) has the molecular formula C140H90N4O6 and a molecular weight of 1924.28 g/mol. Its IUPAC name is 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

• Compound Name: 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine
• PubChem CID: 155082701
• Molecular Formula: C140H90N4O6
• Molecular Weight: 1924.28 g/mol
• Exact Mass: 1922.69
• IUPAC Name: 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine
• SMILES: Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3cc4oc5cc(N(c6cccc(-c7ccccc7)c6)c6ccc(-c7ccc8c(c7)c(N(c7ccccc7-c7ccccc7)c7cccc9c7oc7c(C)cccc79)cc7oc9cc(N(c%10ccccc%10-c%10ccccc%10)c%10cccc%11c%10oc%10c(C)cccc%10%11)c%10ccccc%10c9c78)c7c6oc6c(C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12
• InChI: InChI=1S/C140H90N4O6/c1-83-36-27-60-106-109-63-33-69-116(137(109)147-133(83)106)141(94-50-31-48-91(76-94)87-40-9-5-10-41-87)120-79-124-129(102-57-20-17-54-99(102)120)130-103-58-21-18-55-100(103)121(80-125(130)145-124)142(95-51-32-49-92(77-95)88-42-11-6-12-43-88)119-75-74-98(128-112-66-30-39-86(4)136(112)150-140(119)128)93-72-73-105-113(78-93)123(144(115-68-26-24-53-97(115)90-46-15-8-16-47-90)118-71-35-65-111-108-62-29-38-85(3)135(108)149-139(111)118)82-127-132(105)131-104-59-22-19-56-101(104)122(81-126(131)146-127)143(114-67-25-23-52-96(114)89-44-13-7-14-45-89)117-70-34-64-110-107-61-28-37-84(2)134(107)148-138(110)117/h5-82H,1-4H3
• InChIKey: LURTZXLDULEHOB-UHFFFAOYSA-N
• XLogP: 41.14
• TPSA: 91.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1924.28
LogP ≤ 5	41.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine?

The IUPAC name of 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine (CID 155082701) is 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine.

What is the SMILES notation for 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine?

The canonical SMILES for 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine is Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3cc4oc5cc(N(c6cccc(-c7ccccc7)c6)c6ccc(-c7ccc8c(c7)c(N(c7ccccc7-c7ccccc7)c7cccc9c7oc7c(C)cccc79)cc7oc9cc(N(c%10ccccc%10-c%10ccccc%10)c%10cccc%11c%10oc%10c(C)cccc%10%11)c%10ccccc%10c9c78)c7c6oc6c(C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12.

What is the InChIKey of 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine?

The InChIKey is LURTZXLDULEHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H90N4O6/c1-83-36-27-60-106-109-63-33-69-116(137(109)147-133(83)106)141(94-50-31-48-91(76-94)87-40-9-5-10-41-87)120-79-124-129(102-57-20-17-54-99(102)120)130-103-58-21-18-55-100(103)121(80-125(130)145-124)142(95-51-32-49-92(77-95)88-42-11-6-12-43-88)119-75-74-98(128-112-66-30-39-86(4)136(112)150-140(119)128)93-72-73-105-113(78-93)123(144(115-68-26-24-53-97(115)90-46-15-8-16-47-90)118-71-35-65-111-108-62-29-38-85(3)135(108)149-139(111)118)82-127-132(105)131-104-59-22-19-56-101(104)122(81-126(131)146-127)143(114-67-25-23-52-96(114)89-44-13-7-14-45-89)117-70-34-64-110-107-61-28-37-84(2)134(107)148-138(110)117/h5-82H,1-4H3.

What are the key properties of 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine?

9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 1924.28 g/mol, XLogP of 41.14, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 155082701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).