11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine

C218H146N12O6 — CID 158694655

About 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine

11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine (PubChem CID 158694655) has the molecular formula C218H146N12O6 and a molecular weight of 3029.64 g/mol. Its IUPAC name is 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine.

Molecular Properties

• Compound Name: 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
• PubChem CID: 158694655
• Molecular Formula: C218H146N12O6
• Molecular Weight: 3029.64 g/mol
• Exact Mass: 3027.15
• IUPAC Name: 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
• SMILES: CC(C)c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3oc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.Cn1c2ccccc2c2cc(N(c3ccccc3)c3cc4oc5cc6oc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9C)c8ccccc8c7c6cc5c4c4ccccc34)ccc21.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3oc4cc5oc6cc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1
• InChI: InChI=1S/C80H58N4O2.C74H46N4O2.C64H42N4O2/c1-49(2)51-31-35-55(36-32-51)81(57-39-41-71-65(43-57)61-25-15-17-29-69(61)83(71)53-19-7-5-8-20-53)73-46-77-79(63-27-13-11-23-59(63)73)67-45-68-76(48-75(67)85-77)86-78-47-74(60-24-12-14-28-64(60)80(68)78)82(56-37-33-52(34-38-56)50(3)4)58-40-42-72-66(44-58)62-26-16-18-30-70(62)84(72)54-21-9-6-10-22-54;1-5-21-47(22-6-1)75(51-37-39-65-59(41-51)55-31-17-19-35-63(55)77(65)49-25-9-3-10-26-49)67-44-71-73(57-33-15-13-29-53(57)67)61-43-62-70(46-69(61)79-71)80-72-45-68(54-30-14-16-34-58(54)74(62)72)76(48-23-7-2-8-24-48)52-38-40-66-60(42-52)56-32-18-20-36-64(56)78(66)50-27-11-4-12-28-50;1-65-53-27-15-13-23-45(53)49-33-41(29-31-55(49)65)67(39-17-5-3-6-18-39)57-36-61-63(47-25-11-9-21-43(47)57)51-35-52-60(38-59(51)69-61)70-62-37-58(44-22-10-12-26-48(44)64(52)62)68(40-19-7-4-8-20-40)42-30-32-56-50(34-42)46-24-14-16-28-54(46)66(56)2/h5-50H,1-4H3;1-46H;3-38H,1-2H3
• InChIKey: IGUBHATVKYYAEP-UHFFFAOYSA-N
• XLogP: 62.12
• TPSA: 127.86 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3029.64
LogP ≤ 5	62.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

The IUPAC name of 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine (CID 158694655) is 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine.

What is the SMILES notation for 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

The canonical SMILES for 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine is CC(C)c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3oc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.Cn1c2ccccc2c2cc(N(c3ccccc3)c3cc4oc5cc6oc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9C)c8ccccc8c7c6cc5c4c4ccccc34)ccc21.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3oc4cc5oc6cc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.

What is the InChIKey of 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

The InChIKey is IGUBHATVKYYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H58N4O2.C74H46N4O2.C64H42N4O2/c1-49(2)51-31-35-55(36-32-51)81(57-39-41-71-65(43-57)61-25-15-17-29-69(61)83(71)53-19-7-5-8-20-53)73-46-77-79(63-27-13-11-23-59(63)73)67-45-68-76(48-75(67)85-77)86-78-47-74(60-24-12-14-28-64(60)80(68)78)82(56-37-33-52(34-38-56)50(3)4)58-40-42-72-66(44-58)62-26-16-18-30-70(62)84(72)54-21-9-6-10-22-54;1-5-21-47(22-6-1)75(51-37-39-65-59(41-51)55-31-17-19-35-63(55)77(65)49-25-9-3-10-26-49)67-44-71-73(57-33-15-13-29-53(57)67)61-43-62-70(46-69(61)79-71)80-72-45-68(54-30-14-16-34-58(54)74(62)72)76(48-23-7-2-8-24-48)52-38-40-66-60(42-52)56-32-18-20-36-64(56)78(66)50-27-11-4-12-28-50;1-65-53-27-15-13-23-45(53)49-33-41(29-31-55(49)65)67(39-17-5-3-6-18-39)57-36-61-63(47-25-11-9-21-43(47)57)51-35-52-60(38-59(51)69-61)70-62-37-58(44-22-10-12-26-48(44)64(52)62)68(40-19-7-4-8-20-40)42-30-32-56-50(34-42)46-24-14-16-28-54(46)66(56)2/h5-50H,1-4H3;1-46H;3-38H,1-2H3.

What are the key properties of 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine has a molecular weight of 3029.64 g/mol, XLogP of 62.12, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine is sourced from PubChem (CID 158694655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).