CID 161255941

C254H201N5 — CID 161255941

About CID 161255941

CID 161255941 (PubChem CID 161255941) has the molecular formula C254H201N5 and a molecular weight of 3323.44 g/mol.

Molecular Properties

• Compound Name: CID 161255941
• PubChem CID: 161255941
• Molecular Formula: C254H201N5
• Molecular Weight: 3323.44 g/mol
• Exact Mass: 3320.59
• IUPAC Name: —
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5C45c4ccccc4-c4ccccc45)C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5C45c4ccccc4-c4ccccc45)C4CC5CC(C4)CC3C5)c3ccccc3-c3ccccc3)cc21.c1cc(-c2ccc3c(c2)C2(c4ccccc4C34c3ccccc3-c3ccccc34)C3CC4CC(C3)CC2C4)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5ccccc45)ccc31)C1CC3CC(C1)CC2C3
• InChI: InChI=1S/C67H51N.C63H48N2.2C62H51N/c1-3-20-54-45(14-1)16-12-24-55(54)47-30-33-52(34-31-47)68(65-29-13-17-46-15-2-4-21-56(46)65)53-19-11-18-48(41-53)49-32-35-63-64(42-49)66(50-37-43-36-44(39-50)40-51(66)38-43)61-27-9-10-28-62(61)67(63)59-25-7-5-22-57(59)58-23-6-8-26-60(58)67;1-2-16-48-42(14-1)15-13-27-59(48)64(45-28-30-46(31-29-45)65-60-25-11-5-19-51(60)52-20-6-12-26-61(52)65)47-32-33-57-58(39-47)62(43-35-40-34-41(37-43)38-44(62)36-40)55-23-9-10-24-56(55)63(57)53-21-7-3-17-49(53)50-18-4-8-22-54(50)63;1-60(2)51-22-10-6-19-47(51)50-30-28-44(37-57(50)60)63(59-27-15-9-18-46(59)41-16-4-3-5-17-41)45-29-31-56-58(38-45)61(42-33-39-32-40(35-42)36-43(61)34-39)54-25-13-14-26-55(54)62(56)52-23-11-7-20-48(52)49-21-8-12-24-53(49)62;1-60(2)52-19-9-6-16-48(52)51-30-28-46(37-58(51)60)63(45-26-24-42(25-27-45)41-14-4-3-5-15-41)47-29-31-57-59(38-47)61(43-33-39-32-40(35-43)36-44(61)34-39)55-22-12-13-23-56(55)62(57)53-20-10-7-17-49(53)50-18-8-11-21-54(50)62/h1-35,41-44,50-51H,36-40H2;1-33,39-41,43-44H,34-38H2;3-31,37-40,42-43H,32-36H2,1-2H3;3-31,37-40,43-44H,32-36H2,1-2H3
• InChIKey: VBXMOQVFJDWWJM-UHFFFAOYSA-N
• XLogP: 64.14
• TPSA: 17.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3323.44
LogP ≤ 5	64.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of CID 161255941?

The IUPAC name of CID 161255941 (CID 161255941) is not available.

What is the SMILES notation for CID 161255941?

The canonical SMILES for CID 161255941 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5C45c4ccccc4-c4ccccc45)C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5C45c4ccccc4-c4ccccc45)C4CC5CC(C4)CC3C5)c3ccccc3-c3ccccc3)cc21.c1cc(-c2ccc3c(c2)C2(c4ccccc4C34c3ccccc3-c3ccccc34)C3CC4CC(C3)CC2C4)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5ccccc45)ccc31)C1CC3CC(C1)CC2C3.

What is the InChIKey of CID 161255941?

The InChIKey is VBXMOQVFJDWWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51N.C63H48N2.2C62H51N/c1-3-20-54-45(14-1)16-12-24-55(54)47-30-33-52(34-31-47)68(65-29-13-17-46-15-2-4-21-56(46)65)53-19-11-18-48(41-53)49-32-35-63-64(42-49)66(50-37-43-36-44(39-50)40-51(66)38-43)61-27-9-10-28-62(61)67(63)59-25-7-5-22-57(59)58-23-6-8-26-60(58)67;1-2-16-48-42(14-1)15-13-27-59(48)64(45-28-30-46(31-29-45)65-60-25-11-5-19-51(60)52-20-6-12-26-61(52)65)47-32-33-57-58(39-47)62(43-35-40-34-41(37-43)38-44(62)36-40)55-23-9-10-24-56(55)63(57)53-21-7-3-17-49(53)50-18-4-8-22-54(50)63;1-60(2)51-22-10-6-19-47(51)50-30-28-44(37-57(50)60)63(59-27-15-9-18-46(59)41-16-4-3-5-17-41)45-29-31-56-58(38-45)61(42-33-39-32-40(35-42)36-43(61)34-39)54-25-13-14-26-55(54)62(56)52-23-11-7-20-48(52)49-21-8-12-24-53(49)62;1-60(2)52-19-9-6-16-48(52)51-30-28-46(37-58(51)60)63(45-26-24-42(25-27-45)41-14-4-3-5-15-41)47-29-31-57-59(38-47)61(43-33-39-32-40(35-43)36-44(61)34-39)55-22-12-13-23-56(55)62(57)53-20-10-7-17-49(53)50-18-8-11-21-54(50)62/h1-35,41-44,50-51H,36-40H2;1-33,39-41,43-44H,34-38H2;3-31,37-40,42-43H,32-36H2,1-2H3;3-31,37-40,43-44H,32-36H2,1-2H3.

What are the key properties of CID 161255941?

CID 161255941 has a molecular weight of 3323.44 g/mol, XLogP of 64.14, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 161255941 is sourced from PubChem (CID 161255941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).