CID 157287751

C185H148N10O2 — CID 157287751

IUPAC—

SMILESC.CC(C)c1ccc2c(c1)N1c3ncccc3C(C)(C)c3cccc(c31)C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)N1c3ncccc3C(C)(C)c3cccc(c31)O2.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)O2.CC(C)c1ccc2c(c1)N1c3ncccc3C3(c4ccccc4-c4ccccc43)c3cccc(c31)C21c2ccccc2-c2ccccc21

InChIInChI=1S/C46H32N2.C46H34N2.C36H30N2.C33H26N2O.C23H22N2O.CH4/c1-28(2)29-24-25-38-42(27-29)48-43-39(45(38)34-17-7-3-13-30(34)31-14-4-8-18-35(31)45)21-11-22-40(43)46(41-23-12-26-47-44(41)48)36-19-9-5-15-32(36)33-16-6-10-20-37(33)46;1-30(2)31-26-27-38-42(29-31)48-43-39(23-13-24-40(43)46(38)36-21-11-9-19-34(36)35-20-10-12-22-37(35)46)45(32-15-5-3-6-16-32,33-17-7-4-8-18-33)41-25-14-28-47-44(41)48;1-22(2)23-18-19-28-32(21-23)38-33-29(35(3,4)31-17-10-20-37-34(31)38)15-9-16-30(33)36(28)26-13-7-5-11-24(26)25-12-6-8-14-27(25)36;1-22(2)23-18-19-29-28(21-23)35-31-26(15-9-17-30(31)36-29)33(24-11-5-3-6-12-24,25-13-7-4-8-14-25)27-16-10-20-34-32(27)35;1-14(2)15-10-11-19-18(13-15)25-21-16(7-5-9-20(21)26-19)23(3,4)17-8-6-12-24-22(17)25;/h3-28H,1-2H3;3-30H,1-2H3;5-22H,1-4H3;3-22H,1-2H3;5-14H,1-4H3;1H4

InChIKeyBAKZPQPSHLCAIX-UHFFFAOYSA-N

MW2543.29 g/mol

LogP46.60

Rot. Bonds9

About CID 157287751

CID 157287751 (PubChem CID 157287751) has the molecular formula C185H148N10O2 and a molecular weight of 2543.29 g/mol.

Molecular Properties

Compound Name	CID 157287751
PubChem CID	157287751
Molecular Formula	C185H148N10O2
Molecular Weight	2543.29 g/mol
Exact Mass	2541.18
IUPAC Name	—
SMILES	C.CC(C)c1ccc2c(c1)N1c3ncccc3C(C)(C)c3cccc(c31)C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)N1c3ncccc3C(C)(C)c3cccc(c31)O2.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)O2.CC(C)c1ccc2c(c1)N1c3ncccc3C3(c4ccccc4-c4ccccc43)c3cccc(c31)C21c2ccccc2-c2ccccc21
InChI	InChI=1S/C46H32N2.C46H34N2.C36H30N2.C33H26N2O.C23H22N2O.CH4/c1-28(2)29-24-25-38-42(27-29)48-43-39(45(38)34-17-7-3-13-30(34)31-14-4-8-18-35(31)45)21-11-22-40(43)46(41-23-12-26-47-44(41)48)36-19-9-5-15-32(36)33-16-6-10-20-37(33)46;1-30(2)31-26-27-38-42(29-31)48-43-39(23-13-24-40(43)46(38)36-21-11-9-19-34(36)35-20-10-12-22-37(35)46)45(32-15-5-3-6-16-32,33-17-7-4-8-18-33)41-25-14-28-47-44(41)48;1-22(2)23-18-19-28-32(21-23)38-33-29(35(3,4)31-17-10-20-37-34(31)38)15-9-16-30(33)36(28)26-13-7-5-11-24(26)25-12-6-8-14-27(25)36;1-22(2)23-18-19-29-28(21-23)35-31-26(15-9-17-30(31)36-29)33(24-11-5-3-6-12-24,25-13-7-4-8-14-25)27-16-10-20-34-32(27)35;1-14(2)15-10-11-19-18(13-15)25-21-16(7-5-9-20(21)26-19)23(3,4)17-8-6-12-24-22(17)25;/h3-28H,1-2H3;3-30H,1-2H3;5-22H,1-4H3;3-22H,1-2H3;5-14H,1-4H3;1H4
InChIKey	BAKZPQPSHLCAIX-UHFFFAOYSA-N
XLogP	46.60
TPSA	99.11 Å²
H-Bond Donors
H-Bond Acceptors	12
Rotatable Bonds	9
Heavy Atoms	197
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2543.29
LogP ≤ 5	46.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 157287751?

The IUPAC name of CID 157287751 (CID 157287751) is not available.

What is the SMILES notation for CID 157287751?

The canonical SMILES for CID 157287751 is C.CC(C)c1ccc2c(c1)N1c3ncccc3C(C)(C)c3cccc(c31)C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)N1c3ncccc3C(C)(C)c3cccc(c31)O2.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)O2.CC(C)c1ccc2c(c1)N1c3ncccc3C3(c4ccccc4-c4ccccc43)c3cccc(c31)C21c2ccccc2-c2ccccc21.

What is the InChIKey of CID 157287751?

The InChIKey is BAKZPQPSHLCAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2.C46H34N2.C36H30N2.C33H26N2O.C23H22N2O.CH4/c1-28(2)29-24-25-38-42(27-29)48-43-39(45(38)34-17-7-3-13-30(34)31-14-4-8-18-35(31)45)21-11-22-40(43)46(41-23-12-26-47-44(41)48)36-19-9-5-15-32(36)33-16-6-10-20-37(33)46;1-30(2)31-26-27-38-42(29-31)48-43-39(23-13-24-40(43)46(38)36-21-11-9-19-34(36)35-20-10-12-22-37(35)46)45(32-15-5-3-6-16-32,33-17-7-4-8-18-33)41-25-14-28-47-44(41)48;1-22(2)23-18-19-28-32(21-23)38-33-29(35(3,4)31-17-10-20-37-34(31)38)15-9-16-30(33)36(28)26-13-7-5-11-24(26)25-12-6-8-14-27(25)36;1-22(2)23-18-19-29-28(21-23)35-31-26(15-9-17-30(31)36-29)33(24-11-5-3-6-12-24,25-13-7-4-8-14-25)27-16-10-20-34-32(27)35;1-14(2)15-10-11-19-18(13-15)25-21-16(7-5-9-20(21)26-19)23(3,4)17-8-6-12-24-22(17)25;/h3-28H,1-2H3;3-30H,1-2H3;5-22H,1-4H3;3-22H,1-2H3;5-14H,1-4H3;1H4.

What are the key properties of CID 157287751?

CID 157287751 has a molecular weight of 2543.29 g/mol, XLogP of 46.60, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157287751 is sourced from PubChem (CID 157287751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).