CID 159950207

C195H113N9O5 — CID 159950207

About CID 159950207

CID 159950207 (PubChem CID 159950207) has the molecular formula C195H113N9O5 and a molecular weight of 2662.11 g/mol.

Molecular Properties

• Compound Name: CID 159950207
• PubChem CID: 159950207
• Molecular Formula: C195H113N9O5
• Molecular Weight: 2662.11 g/mol
• Exact Mass: 2659.89
• IUPAC Name: —
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-c3cnc4c(c3)C3(c5ccccc5Oc5cc6c(cc53)-c3ccccc3C63c5ccccc5-c5ccccc53)c3cccnc3-4)cc2n1-c1ccccc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)oc2cc(-c3cnc5c(c3)C3(c6ccccc6Oc6cc7c(cc63)-c3ccccc3C73c6ccccc6-c6ccccc63)c3cccnc3-5)ccc24)cc1.c1ccc2c(c1)Oc1cc3c(cc1C21c2cccnc2-c2ncc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc21)-c1ccccc1C31c2ccccc2-c2ccccc21
• InChI: InChI=1S/C69H43N3O.C66H37N3O2.C60H33N3O2/c1-67(2)49-23-10-9-22-46(49)63-54(67)32-33-59-64(63)47-31-30-40(36-60(47)72(59)42-17-4-3-5-18-42)41-35-58-66(71-39-41)65-55(28-16-34-70-65)69(58)53-27-14-15-29-61(53)73-62-38-56-48(37-57(62)69)45-21-8-13-26-52(45)68(56)50-24-11-6-19-43(50)44-20-7-12-25-51(44)68;1-2-15-40(16-3-1)69-55-26-12-7-20-44(55)61-56(69)30-31-58-62(61)45-29-28-38(34-59(45)71-58)39-33-54-64(68-37-39)63-51(25-14-32-67-63)66(54)50-24-11-13-27-57(50)70-60-36-52-46(35-53(60)66)43-19-6-10-23-49(43)65(52)47-21-8-4-17-41(47)42-18-5-9-22-48(42)65;1-6-19-43-35(14-1)36-15-2-7-20-44(36)59(43)45-21-8-3-16-37(45)40-30-49-56(31-48(40)59)65-54-26-12-9-22-46(54)60(49)47-23-13-27-61-57(47)58-50(60)28-34(33-62-58)63-51-24-10-4-17-38(51)41-29-42-39-18-5-11-25-53(39)64-55(42)32-52(41)63/h3-39H,1-2H3;1-37H;1-33H
• InChIKey: OBZYJSJHEFYVHY-UHFFFAOYSA-N
• XLogP: 46.60
• TPSA: 146.10 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2662.11
LogP ≤ 5	46.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of CID 159950207?

The IUPAC name of CID 159950207 (CID 159950207) is not available.

What is the SMILES notation for CID 159950207?

The canonical SMILES for CID 159950207 is CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-c3cnc4c(c3)C3(c5ccccc5Oc5cc6c(cc53)-c3ccccc3C63c5ccccc5-c5ccccc53)c3cccnc3-4)cc2n1-c1ccccc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)oc2cc(-c3cnc5c(c3)C3(c6ccccc6Oc6cc7c(cc63)-c3ccccc3C73c6ccccc6-c6ccccc63)c3cccnc3-5)ccc24)cc1.c1ccc2c(c1)Oc1cc3c(cc1C21c2cccnc2-c2ncc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc21)-c1ccccc1C31c2ccccc2-c2ccccc21.

What is the InChIKey of CID 159950207?

The InChIKey is OBZYJSJHEFYVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N3O.C66H37N3O2.C60H33N3O2/c1-67(2)49-23-10-9-22-46(49)63-54(67)32-33-59-64(63)47-31-30-40(36-60(47)72(59)42-17-4-3-5-18-42)41-35-58-66(71-39-41)65-55(28-16-34-70-65)69(58)53-27-14-15-29-61(53)73-62-38-56-48(37-57(62)69)45-21-8-13-26-52(45)68(56)50-24-11-6-19-43(50)44-20-7-12-25-51(44)68;1-2-15-40(16-3-1)69-55-26-12-7-20-44(55)61-56(69)30-31-58-62(61)45-29-28-38(34-59(45)71-58)39-33-54-64(68-37-39)63-51(25-14-32-67-63)66(54)50-24-11-13-27-57(50)70-60-36-52-46(35-53(60)66)43-19-6-10-23-49(43)65(52)47-21-8-4-17-41(47)42-18-5-9-22-48(42)65;1-6-19-43-35(14-1)36-15-2-7-20-44(36)59(43)45-21-8-3-16-37(45)40-30-49-56(31-48(40)59)65-54-26-12-9-22-46(54)60(49)47-23-13-27-61-57(47)58-50(60)28-34(33-62-58)63-51-24-10-4-17-38(51)41-29-42-39-18-5-11-25-53(39)64-55(42)32-52(41)63/h3-39H,1-2H3;1-37H;1-33H.

What are the key properties of CID 159950207?

CID 159950207 has a molecular weight of 2662.11 g/mol, XLogP of 46.60, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159950207 is sourced from PubChem (CID 159950207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).