4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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

C158H114N4O6 — CID 167244473

About 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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

4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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 167244473) has the molecular formula C158H114N4O6 and a molecular weight of 2164.67 g/mol. Its IUPAC name is 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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: 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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: 167244473
• Molecular Formula: C158H114N4O6
• Molecular Weight: 2164.67 g/mol
• Exact Mass: 2162.87
• IUPAC Name: 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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: Cc1cc(C)cc(-c2ccc(N(c3cc4c5cc(N(c6cc(C)cc(C)c6)c6cccc7c6oc6c(-c8ccc(-c9cccc(-c%10cccc%11c%10oc%10c(N(c%12ccc(C%13CCCCC%13)cc%12)c%12cc%13c%14cc(N(c%15ccc(C%16CCCCC%16)cc%15)c%15cccc%16c%15oc%15c(-c%17ccccc%17)cccc%15%16)c%15ccccc%15c%14oc%13c%13ccccc%12%13)cccc%10%11)c9)cc8)cccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)cccc34)cc2)c1
• InChI: InChI=1S/C158H114N4O6/c1-95-84-96(2)87-110(86-95)104-76-82-113(83-77-104)161(140-65-31-61-132-128-57-27-53-116(148(128)166-156(132)140)106-40-15-8-16-41-106)145-93-137-138-94-146(122-47-20-24-51-126(122)154(138)164-153(137)125-50-23-19-46-121(125)145)162(114-88-97(3)85-98(4)89-114)142-67-33-63-133-129-58-28-54-117(149(129)167-158(133)142)107-70-68-103(69-71-107)108-42-25-43-109(90-108)118-55-29-59-130-134-62-32-66-141(157(134)168-150(118)130)160(112-80-74-102(75-81-112)100-36-11-6-12-37-100)144-92-136-135-91-143(119-44-17-21-48-123(119)151(135)163-152(136)124-49-22-18-45-120(124)144)159(111-78-72-101(73-79-111)99-34-9-5-10-35-99)139-64-30-60-131-127-56-26-52-115(147(127)165-155(131)139)105-38-13-7-14-39-105/h7-8,13-33,38-94,99-100H,5-6,9-12,34-37H2,1-4H3
• InChIKey: JGHALQVPKMNOIA-UHFFFAOYSA-N
• XLogP: 46.91
• TPSA: 91.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2164.67
LogP ≤ 5	46.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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 167244473) is 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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 Cc1cc(C)cc(-c2ccc(N(c3cc4c5cc(N(c6cc(C)cc(C)c6)c6cccc7c6oc6c(-c8ccc(-c9cccc(-c%10cccc%11c%10oc%10c(N(c%12ccc(C%13CCCCC%13)cc%12)c%12cc%13c%14cc(N(c%15ccc(C%16CCCCC%16)cc%15)c%15cccc%16c%15oc%15c(-c%17ccccc%17)cccc%15%16)c%15ccccc%15c%14oc%13c%13ccccc%12%13)cccc%10%11)c9)cc8)cccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)cccc34)cc2)c1.

What is the InChIKey of 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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 JGHALQVPKMNOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C158H114N4O6/c1-95-84-96(2)87-110(86-95)104-76-82-113(83-77-104)161(140-65-31-61-132-128-57-27-53-116(148(128)166-156(132)140)106-40-15-8-16-41-106)145-93-137-138-94-146(122-47-20-24-51-126(122)154(138)164-153(137)125-50-23-19-46-121(125)145)162(114-88-97(3)85-98(4)89-114)142-67-33-63-133-129-58-28-54-117(149(129)167-158(133)142)107-70-68-103(69-71-107)108-42-25-43-109(90-108)118-55-29-59-130-134-62-32-66-141(157(134)168-150(118)130)160(112-80-74-102(75-81-112)100-36-11-6-12-37-100)144-92-136-135-91-143(119-44-17-21-48-123(119)151(135)163-152(136)124-49-22-18-45-120(124)144)159(111-78-72-101(73-79-111)99-34-9-5-10-35-99)139-64-30-60-131-127-56-26-52-115(147(127)165-155(131)139)105-38-13-7-14-39-105/h7-8,13-33,38-94,99-100H,5-6,9-12,34-37H2,1-4H3.

What are the key properties of 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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?

4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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 2164.67 g/mol, XLogP of 46.91, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-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]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-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 167244473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).