CID 167574062

C206H140N16V2 — CID 167574062

IUPAC—

SMILES[V+2].[V+2].[c-]1ccccc1-c1[c-]cc2c(c1)Cc1ccnc3c1N2c1ccccc1C3.[c-]1ccccc1-c1[c-]cc2c(c1)Cc1cncc3c1N2c1ccccc1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccccc2Cc2ccnc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccccc2Cc2cncc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2cccnc2Cc2cccc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccncc2Cc2cccc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2cnccc2Cc2cccc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ncccc2Cc2cccc(c21)C3

InChIInChI=1S/6C26H18N2.2C25H16N2.2V/c1-3-7-22-16(5-1)11-18-9-10-19-13-21-15-27-14-20-12-17-6-2-4-8-23(17)28(25(20)21)26(19)24(18)22;1-3-7-21-16(5-1)13-18-9-10-19-15-22-25-20(11-12-27-22)14-17-6-2-4-8-23(17)28(25)26(19)24(18)21;1-2-9-22-16(5-1)13-17-10-11-20-14-18-6-3-7-19-15-21-8-4-12-27-26(21)28(24(18)19)25(20)23(17)22;1-2-8-21-16(5-1)13-17-10-11-20-14-18-6-3-7-19-15-22-23(9-4-12-27-22)28(25(18)19)26(20)24(17)21;1-2-7-22-16(4-1)12-18-8-9-21-14-20-6-3-5-19-13-17-10-11-27-15-23(17)28(25(19)20)26(21)24(18)22;1-2-7-22-16(4-1)12-17-8-9-20-13-18-5-3-6-19-14-21-15-27-11-10-23(21)28(25(18)19)26(20)24(17)22;1-2-6-17(7-3-1)18-10-11-24-20(12-18)14-22-16-26-15-21-13-19-8-4-5-9-23(19)27(24)25(21)22;1-2-6-17(7-3-1)18-10-11-24-21(14-18)15-20-12-13-26-22-16-19-8-4-5-9-23(19)27(24)25(20)22;;/h1-10,14-15H,11-13H2;3*1-12H,13-15H2;2*1-11,15H,12-14H2;1-6,8-9,11-12,15-16H,13-14H2;1-6,8-9,11-14H,15-16H2;;/q;;;;;;2*-2;2*+2

InChIKeyCDPDWGXVIHZZOT-UHFFFAOYSA-N

MW2941.39 g/mol

LogP46.84

Rot. Bonds2

About CID 167574062

CID 167574062 (PubChem CID 167574062) has the molecular formula C206H140N16V2 and a molecular weight of 2941.39 g/mol.

Molecular Properties

Compound Name	CID 167574062
PubChem CID	167574062
Molecular Formula	C206H140N16V2
Molecular Weight	2941.39 g/mol
Exact Mass	2939.03
IUPAC Name	—
SMILES	[V+2].[V+2].[c-]1ccccc1-c1[c-]cc2c(c1)Cc1ccnc3c1N2c1ccccc1C3.[c-]1ccccc1-c1[c-]cc2c(c1)Cc1cncc3c1N2c1ccccc1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccccc2Cc2ccnc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccccc2Cc2cncc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2cccnc2Cc2cccc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccncc2Cc2cccc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2cnccc2Cc2cccc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ncccc2Cc2cccc(c21)C3
InChI	InChI=1S/6C26H18N2.2C25H16N2.2V/c1-3-7-22-16(5-1)11-18-9-10-19-13-21-15-27-14-20-12-17-6-2-4-8-23(17)28(25(20)21)26(19)24(18)22;1-3-7-21-16(5-1)13-18-9-10-19-15-22-25-20(11-12-27-22)14-17-6-2-4-8-23(17)28(25)26(19)24(18)21;1-2-9-22-16(5-1)13-17-10-11-20-14-18-6-3-7-19-15-21-8-4-12-27-26(21)28(24(18)19)25(20)23(17)22;1-2-8-21-16(5-1)13-17-10-11-20-14-18-6-3-7-19-15-22-23(9-4-12-27-22)28(25(18)19)26(20)24(17)21;1-2-7-22-16(4-1)12-18-8-9-21-14-20-6-3-5-19-13-17-10-11-27-15-23(17)28(25(19)20)26(21)24(18)22;1-2-7-22-16(4-1)12-17-8-9-20-13-18-5-3-6-19-14-21-15-27-11-10-23(21)28(25(18)19)26(20)24(17)22;1-2-6-17(7-3-1)18-10-11-24-20(12-18)14-22-16-26-15-21-13-19-8-4-5-9-23(19)27(24)25(21)22;1-2-6-17(7-3-1)18-10-11-24-21(14-18)15-20-12-13-26-22-16-19-8-4-5-9-23(19)27(24)25(20)22;;/h1-10,14-15H,11-13H2;31-12H,13-15H2;21-11,15H,12-14H2;1-6,8-9,11-12,15-16H,13-14H2;1-6,8-9,11-14H,15-16H2;;/q;;;;;;2-2;2+2
InChIKey	CDPDWGXVIHZZOT-UHFFFAOYSA-N
XLogP	46.84
TPSA	129.04 Å²
H-Bond Donors
H-Bond Acceptors	16
Rotatable Bonds	2
Heavy Atoms	224
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2941.39
LogP ≤ 5	46.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 167574062?

The IUPAC name of CID 167574062 (CID 167574062) is not available.

What is the SMILES notation for CID 167574062?

The canonical SMILES for CID 167574062 is [V+2].[V+2].[c-]1ccccc1-c1[c-]cc2c(c1)Cc1ccnc3c1N2c1ccccc1C3.[c-]1ccccc1-c1[c-]cc2c(c1)Cc1cncc3c1N2c1ccccc1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccccc2Cc2ccnc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccccc2Cc2cncc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2cccnc2Cc2cccc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccncc2Cc2cccc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2cnccc2Cc2cccc(c21)C3.c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ncccc2Cc2cccc(c21)C3.

What is the InChIKey of CID 167574062?

The InChIKey is CDPDWGXVIHZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C26H18N2.2C25H16N2.2V/c1-3-7-22-16(5-1)11-18-9-10-19-13-21-15-27-14-20-12-17-6-2-4-8-23(17)28(25(20)21)26(19)24(18)22;1-3-7-21-16(5-1)13-18-9-10-19-15-22-25-20(11-12-27-22)14-17-6-2-4-8-23(17)28(25)26(19)24(18)21;1-2-9-22-16(5-1)13-17-10-11-20-14-18-6-3-7-19-15-21-8-4-12-27-26(21)28(24(18)19)25(20)23(17)22;1-2-8-21-16(5-1)13-17-10-11-20-14-18-6-3-7-19-15-22-23(9-4-12-27-22)28(25(18)19)26(20)24(17)21;1-2-7-22-16(4-1)12-18-8-9-21-14-20-6-3-5-19-13-17-10-11-27-15-23(17)28(25(19)20)26(21)24(18)22;1-2-7-22-16(4-1)12-17-8-9-20-13-18-5-3-6-19-14-21-15-27-11-10-23(21)28(25(18)19)26(20)24(17)22;1-2-6-17(7-3-1)18-10-11-24-20(12-18)14-22-16-26-15-21-13-19-8-4-5-9-23(19)27(24)25(21)22;1-2-6-17(7-3-1)18-10-11-24-21(14-18)15-20-12-13-26-22-16-19-8-4-5-9-23(19)27(24)25(20)22;;/h1-10,14-15H,11-13H2;3*1-12H,13-15H2;2*1-11,15H,12-14H2;1-6,8-9,11-12,15-16H,13-14H2;1-6,8-9,11-14H,15-16H2;;/q;;;;;;2*-2;2*+2.

What are the key properties of CID 167574062?

CID 167574062 has a molecular weight of 2941.39 g/mol, XLogP of 46.84, 2 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for CID 167574062 is sourced from PubChem (CID 167574062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).