14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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

C90H62N4O2 — CID 167079036

About 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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

14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 167079036) has the molecular formula C90H62N4O2 and a molecular weight of 1231.51 g/mol. Its IUPAC name is 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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: 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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: 167079036
• Molecular Formula: C90H62N4O2
• Molecular Weight: 1231.51 g/mol
• Exact Mass: 1230.49
• IUPAC Name: 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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: Cc1ccc(N(c2ccccc2)c2ccc3c(ccc4oc5ccc6cc(N(c7ccc(C)cc7)c7ccc(-c8ccc(N(c9ccccc9)c9cc%10ccccc%10c%10c9oc9c(N(c%11ccccc%11)c%11ccccc%11)cc%11ccccc%11c9%10)cc8)cc7)ccc6c5c43)c2)cc1
• InChI: InChI=1S/C90H62N4O2/c1-59-31-41-71(42-32-59)91(67-21-7-3-8-22-67)75-49-51-79-65(55-75)39-53-83-85(79)86-80-52-50-76(56-66(80)40-54-84(86)95-83)92(72-43-33-60(2)34-44-72)73-45-35-61(36-46-73)62-37-47-74(48-38-62)94(70-27-13-6-14-28-70)82-58-64-20-16-18-30-78(64)88-87-77-29-17-15-19-63(77)57-81(89(87)96-90(82)88)93(68-23-9-4-10-24-68)69-25-11-5-12-26-69/h3-58H,1-2H3
• InChIKey: BKOSQZLLVRDPEN-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 39.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1231.51
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 167079036) is 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 Cc1ccc(N(c2ccccc2)c2ccc3c(ccc4oc5ccc6cc(N(c7ccc(C)cc7)c7ccc(-c8ccc(N(c9ccccc9)c9cc%10ccccc%10c%10c9oc9c(N(c%11ccccc%11)c%11ccccc%11)cc%11ccccc%11c9%10)cc8)cc7)ccc6c5c43)c2)cc1.

What is the InChIKey of 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 BKOSQZLLVRDPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H62N4O2/c1-59-31-41-71(42-32-59)91(67-21-7-3-8-22-67)75-49-51-79-65(55-75)39-53-83-85(79)86-80-52-50-76(56-66(80)40-54-84(86)95-83)92(72-43-33-60(2)34-44-72)73-45-35-61(36-46-73)62-37-47-74(48-38-62)94(70-27-13-6-14-28-70)82-58-64-20-16-18-30-78(64)88-87-77-29-17-15-19-63(77)57-81(89(87)96-90(82)88)93(68-23-9-4-10-24-68)69-25-11-5-12-26-69/h3-58H,1-2H3.

What are the key properties of 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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?

14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 1231.51 g/mol, XLogP of 26.26, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 167079036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).