6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene

C75H45N11 — CID 88949842

About 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene

6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene (PubChem CID 88949842) has the molecular formula C75H45N11 and a molecular weight of 1100.26 g/mol. Its IUPAC name is 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
• PubChem CID: 88949842
• Molecular Formula: C75H45N11
• Molecular Weight: 1100.26 g/mol
• Exact Mass: 1099.39
• IUPAC Name: 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c8ccc9c%10ccccc%10n(-c%10nc(-c%11ccccc%11)c%11nc(-c%12ccccc%12)ncc%11n%10)c9c8n(-c8ccccc8)c7c6n(-c6ccccc6)c5c43)n2)cc1
• InChI: InChI=1S/C75H45N11/c1-7-23-46(24-8-1)63-64-60(45-76-71(78-64)47-25-9-2-10-26-47)77-74(79-63)85-61-37-21-19-35-52(61)54-39-41-58-56-43-44-57-59-42-40-55-53-36-20-22-38-62(53)86(75-81-72(48-27-11-3-12-28-48)80-73(82-75)49-29-13-4-14-30-49)70(55)68(59)84(51-33-17-6-18-34-51)66(57)65(56)83(67(58)69(54)85)50-31-15-5-16-32-50/h1-45H
• InChIKey: FRADZKOEMNGORJ-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 109.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1100.26
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene?

The IUPAC name of 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene (CID 88949842) is 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene.

What is the SMILES notation for 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene?

The canonical SMILES for 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c8ccc9c%10ccccc%10n(-c%10nc(-c%11ccccc%11)c%11nc(-c%12ccccc%12)ncc%11n%10)c9c8n(-c8ccccc8)c7c6n(-c6ccccc6)c5c43)n2)cc1.

What is the InChIKey of 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene?

The InChIKey is FRADZKOEMNGORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H45N11/c1-7-23-46(24-8-1)63-64-60(45-76-71(78-64)47-25-9-2-10-26-47)77-74(79-63)85-61-37-21-19-35-52(61)54-39-41-58-56-43-44-57-59-42-40-55-53-36-20-22-38-62(53)86(75-81-72(48-27-11-3-12-28-48)80-73(82-75)49-29-13-4-14-30-49)70(55)68(59)84(51-33-17-6-18-34-51)66(57)65(56)83(67(58)69(54)85)50-31-15-5-16-32-50/h1-45H.

What are the key properties of 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene?

6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene has a molecular weight of 1100.26 g/mol, XLogP of 17.66, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene is sourced from PubChem (CID 88949842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).