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

C142H94N4O6 — CID 167304320

About 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

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 (PubChem CID 167304320) has the molecular formula C142H94N4O6 and a molecular weight of 1952.34 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167304320
• Molecular Formula: C142H94N4O6
• Molecular Weight: 1952.34 g/mol
• Exact Mass: 1950.72
• IUPAC Name: 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
• SMILES: Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3cc4c5cc(N(c6ccccc6)c6cccc7c6oc6c(-c8cccc(-c9cccc(-c%10cccc%11c%10oc%10c(N(c%12ccccc%12C)c%12cc%13c%14cc(N(c%15ccccc%15C)c%15cccc%16c%15oc%15c(-c%17ccccc%17C)cccc%15%16)c%15ccccc%15c%14oc%13c%13ccccc%12%13)cccc%10%11)c9C)c8C)cccc67)c6ccccc6c5oc4c4ccccc34)cccc12
• InChI: InChI=1S/C142H94N4O6/c1-83-39-13-17-47-91(83)101-61-31-65-109-113-69-35-75-123(139(113)149-131(101)109)143(89-43-9-7-10-44-89)127-79-117-118-80-128(98-50-20-24-54-106(98)136(118)147-135(117)105-53-23-19-49-97(105)127)144(90-45-11-8-12-46-90)124-76-36-70-114-111-67-33-63-103(133(111)151-140(114)124)95-59-29-57-93(87(95)5)94-58-30-60-96(88(94)6)104-64-34-68-112-116-72-38-78-126(142(116)152-134(104)112)146(122-74-28-16-42-86(122)4)130-82-120-119-81-129(99-51-21-25-55-107(99)137(119)148-138(120)108-56-26-22-52-100(108)130)145(121-73-27-15-41-85(121)3)125-77-37-71-115-110-66-32-62-102(132(110)150-141(115)125)92-48-18-14-40-84(92)2/h7-82H,1-6H3
• InChIKey: NIWJPKWLMUHQKC-UHFFFAOYSA-N
• XLogP: 41.76
• TPSA: 91.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1952.34
LogP ≤ 5	41.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3cc4c5cc(N(c6ccccc6)c6cccc7c6oc6c(-c8cccc(-c9cccc(-c%10cccc%11c%10oc%10c(N(c%12ccccc%12C)c%12cc%13c%14cc(N(c%15ccccc%15C)c%15cccc%16c%15oc%15c(-c%17ccccc%17C)cccc%15%16)c%15ccccc%15c%14oc%13c%13ccccc%12%13)cccc%10%11)c9C)c8C)cccc67)c6ccccc6c5oc4c4ccccc34)cccc12.

What is the InChIKey of 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?

The InChIKey is NIWJPKWLMUHQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H94N4O6/c1-83-39-13-17-47-91(83)101-61-31-65-109-113-69-35-75-123(139(113)149-131(101)109)143(89-43-9-7-10-44-89)127-79-117-118-80-128(98-50-20-24-54-106(98)136(118)147-135(117)105-53-23-19-49-97(105)127)144(90-45-11-8-12-46-90)124-76-36-70-114-111-67-33-63-103(133(111)151-140(114)124)95-59-29-57-93(87(95)5)94-58-30-60-96(88(94)6)104-64-34-68-112-116-72-38-78-126(142(116)152-134(104)112)146(122-74-28-16-42-86(122)4)130-82-120-119-81-129(99-51-21-25-55-107(99)137(119)148-138(120)108-56-26-22-52-100(108)130)145(121-73-27-15-41-85(121)3)125-77-37-71-115-110-66-32-62-102(132(110)150-141(115)125)92-48-18-14-40-84(92)2/h7-82H,1-6H3.

What are the key properties of 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?

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 has a molecular weight of 1952.34 g/mol, XLogP of 41.76, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167304320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).