10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

C116H78N4O4 — CID 155082708

About 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (PubChem CID 155082708) has the molecular formula C116H78N4O4 and a molecular weight of 1591.92 g/mol. Its IUPAC name is 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.

Molecular Properties

• Compound Name: 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
• PubChem CID: 155082708
• Molecular Formula: C116H78N4O4
• Molecular Weight: 1591.92 g/mol
• Exact Mass: 1590.60
• IUPAC Name: 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
• SMILES: Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(ccc5oc6ccc7cc(N(c8ccccc8)c8cccc9c8oc8c(-c%10ccccc%10C)cc(-c%10cccc(N(c%11ccccc%11C)c%11cc%12ccccc%12c%12c%11oc%11c(N(c%13ccccc%13)c%13ccccc%13C)cc%13ccccc%13c%11%12)c%10)cc89)ccc7c6c54)c3)cccc12
• InChI: InChI=1S/C116H78N4O4/c1-71-30-14-20-44-87(71)93-48-27-49-94-95-50-28-54-101(113(95)122-111(93)94)117(81-37-8-5-9-38-81)85-58-60-91-78(65-85)56-62-105-107(91)108-92-61-59-86(66-79(92)57-63-106(108)121-105)118(82-39-10-6-11-40-82)102-55-29-51-96-98-68-80(67-97(112(98)123-114(96)102)88-45-21-15-31-72(88)2)75-36-26-43-84(64-75)120(100-53-25-17-33-74(100)4)104-70-77-35-19-23-47-90(77)110-109-89-46-22-18-34-76(89)69-103(115(109)124-116(104)110)119(83-41-12-7-13-42-83)99-52-24-16-32-73(99)3/h5-70H,1-4H3
• InChIKey: LTIRSPLPMDIJQU-UHFFFAOYSA-N
• XLogP: 34.01
• TPSA: 65.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1591.92
LogP ≤ 5	34.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?

The IUPAC name of 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (CID 155082708) is 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.

What is the SMILES notation for 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?

The canonical SMILES for 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(ccc5oc6ccc7cc(N(c8ccccc8)c8cccc9c8oc8c(-c%10ccccc%10C)cc(-c%10cccc(N(c%11ccccc%11C)c%11cc%12ccccc%12c%12c%11oc%11c(N(c%13ccccc%13)c%13ccccc%13C)cc%13ccccc%13c%11%12)c%10)cc89)ccc7c6c54)c3)cccc12.

What is the InChIKey of 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?

The InChIKey is LTIRSPLPMDIJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H78N4O4/c1-71-30-14-20-44-87(71)93-48-27-49-94-95-50-28-54-101(113(95)122-111(93)94)117(81-37-8-5-9-38-81)85-58-60-91-78(65-85)56-62-105-107(91)108-92-61-59-86(66-79(92)57-63-106(108)121-105)118(82-39-10-6-11-40-82)102-55-29-51-96-98-68-80(67-97(112(98)123-114(96)102)88-45-21-15-31-72(88)2)75-36-26-43-84(64-75)120(100-53-25-17-33-74(100)4)104-70-77-35-19-23-47-90(77)110-109-89-46-22-18-34-76(89)69-103(115(109)124-116(104)110)119(83-41-12-7-13-42-83)99-52-24-16-32-73(99)3/h5-70H,1-4H3.

What are the key properties of 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?

10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine has a molecular weight of 1591.92 g/mol, XLogP of 34.01, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is sourced from PubChem (CID 155082708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).