22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene

C123H65N15O3 — CID 129128104

IUPAC22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)nc5c7c(ccc8c9c(-c%10ccc%11c%12c%13c(ccc%12n(-c%12nc(-c%14ccccc%14)c%14ccccc%14n%12)c%11c%10)c%10c%11ccccc%11oc%10n%10c%11ccccc%11nc%13%10)cccc9n(-c9nc(-c%10ccccc%10)c%10ccccc%10n9)c87)c7c8ccccc8oc7n65)cc4c4c5oc6c7ccccc7c7nc8ccccc8n7c6c5ccc43)nc3ccccc23)cc1
InChIInChI=1S/C123H65N15O3/c1-4-27-66(28-5-1)109-75-35-12-17-41-86(75)127-121(130-109)133-92-59-52-69(63-85(92)106-98(133)62-58-84-113-115(141-114(84)106)73-33-10-11-34-74(73)116-124-89-44-20-22-46-93(89)135(113)116)70-53-60-95-91(64-70)126-118-108-82(104-80-39-16-25-50-101(80)140-120(104)138(95)118)55-56-83-102-72(40-26-48-96(102)136(112(83)108)123-129-88-43-19-14-37-77(88)111(132-123)68-31-8-3-9-32-68)71-51-54-78-99(65-71)134(122-128-87-42-18-13-36-76(87)110(131-122)67-29-6-2-7-30-67)97-61-57-81-103-79-38-15-24-49-100(79)139-119(103)137-94-47-23-21-45-90(94)125-117(137)107(81)105(78)97/h1-65H
InChIKeyKCZLNAPSQLGTOT-UHFFFAOYSA-N
MW1800.97 g/mol
LogP30.70
Rot. Bonds8

About 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene

22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene (PubChem CID 129128104) has the molecular formula C123H65N15O3 and a molecular weight of 1800.97 g/mol. Its IUPAC name is 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene.

Molecular Properties

Compound Name22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene
PubChem CID129128104
Molecular FormulaC123H65N15O3
Molecular Weight1800.97 g/mol
Exact Mass1799.54
IUPAC Name22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)nc5c7c(ccc8c9c(-c%10ccc%11c%12c%13c(ccc%12n(-c%12nc(-c%14ccccc%14)c%14ccccc%14n%12)c%11c%10)c%10c%11ccccc%11oc%10n%10c%11ccccc%11nc%13%10)cccc9n(-c9nc(-c%10ccccc%10)c%10ccccc%10n9)c87)c7c8ccccc8oc7n65)cc4c4c5oc6c7ccccc7c7nc8ccccc8n7c6c5ccc43)nc3ccccc23)cc1
InChIInChI=1S/C123H65N15O3/c1-4-27-66(28-5-1)109-75-35-12-17-41-86(75)127-121(130-109)133-92-59-52-69(63-85(92)106-98(133)62-58-84-113-115(141-114(84)106)73-33-10-11-34-74(73)116-124-89-44-20-22-46-93(89)135(113)116)70-53-60-95-91(64-70)126-118-108-82(104-80-39-16-25-50-101(80)140-120(104)138(95)118)55-56-83-102-72(40-26-48-96(102)136(112(83)108)123-129-88-43-19-14-37-77(88)111(132-123)68-31-8-3-9-32-68)71-51-54-78-99(65-71)134(122-128-87-42-18-13-36-76(87)110(131-122)67-29-6-2-7-30-67)97-61-57-81-103-79-38-15-24-49-100(79)139-119(103)137-94-47-23-21-45-90(94)125-117(137)107(81)105(78)97/h1-65H
InChIKeyKCZLNAPSQLGTOT-UHFFFAOYSA-N
XLogP30.70
TPSA183.45 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001800.97
LogP ≤ 530.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene?
The IUPAC name of 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene (CID 129128104) is 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene.
What is the SMILES notation for 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene?
The canonical SMILES for 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene is c1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)nc5c7c(ccc8c9c(-c%10ccc%11c%12c%13c(ccc%12n(-c%12nc(-c%14ccccc%14)c%14ccccc%14n%12)c%11c%10)c%10c%11ccccc%11oc%10n%10c%11ccccc%11nc%13%10)cccc9n(-c9nc(-c%10ccccc%10)c%10ccccc%10n9)c87)c7c8ccccc8oc7n65)cc4c4c5oc6c7ccccc7c7nc8ccccc8n7c6c5ccc43)nc3ccccc23)cc1.
What is the InChIKey of 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene?
The InChIKey is KCZLNAPSQLGTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H65N15O3/c1-4-27-66(28-5-1)109-75-35-12-17-41-86(75)127-121(130-109)133-92-59-52-69(63-85(92)106-98(133)62-58-84-113-115(141-114(84)106)73-33-10-11-34-74(73)116-124-89-44-20-22-46-93(89)135(113)116)70-53-60-95-91(64-70)126-118-108-82(104-80-39-16-25-50-101(80)140-120(104)138(95)118)55-56-83-102-72(40-26-48-96(102)136(112(83)108)123-129-88-43-19-14-37-77(88)111(132-123)68-31-8-3-9-32-68)71-51-54-78-99(65-71)134(122-128-87-42-18-13-36-76(87)110(131-122)67-29-6-2-7-30-67)97-61-57-81-103-79-38-15-24-49-100(79)139-119(103)137-94-47-23-21-45-90(94)125-117(137)107(81)105(78)97/h1-65H.
What are the key properties of 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene?
22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene has a molecular weight of 1800.97 g/mol, XLogP of 30.70, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(4-phenylquinazolin-2-yl)-15-[27-(4-phenylquinazolin-2-yl)-18-oxa-2,9,27-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21(26),22,24,29-tetradecaen-23-yl]-27-[28-(4-phenylquinazolin-2-yl)-9-oxa-11,18,28-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22(27),23,25,30-tetradecaen-25-yl]-9-oxa-11,18,22-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.023,28]hentriaconta-1(20),2(10),3,5,7,12(17),13,15,18,21(29),23,25,27,30-tetradecaene is sourced from PubChem (CID 129128104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).